4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoyl chloride;4-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1H-tetrazol-5-one;tetramethylsilane

C76H95ClN4O4Si — CID 157231512

IUPAC4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoyl chloride;4-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1H-tetrazol-5-one;tetramethylsilane
SMILESC=C(c1ccc(-n2nn[nH]c2=O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.C=C(c1ccc(C(=O)Cl)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.C[Si](C)(C)C
InChIInChI=1S/C24H27ClO.C24H28N4O.C24H28O2.C4H12Si/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26;1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)28-22(29)25-26-27-28;1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26;1-5(2,3)4/h7-10,13-14H,2,11-12H2,1,3-6H3;7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,27,29);7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26);1-4H3
InChIKeyAUDSRXVLTSQULR-UHFFFAOYSA-N
MW1192.16 g/mol
LogP19.52
Rot. Bonds9

About 4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoyl chloride;4-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1H-tetrazol-5-one;tetramethylsilane

4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoyl chloride;4-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1H-tetrazol-5-one;tetramethylsilane (PubChem CID 157231512) has the molecular formula C76H95ClN4O4Si and a molecular weight of 1192.16 g/mol. Its IUPAC name is 4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoyl chloride;4-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1H-tetrazol-5-one;tetramethylsilane.

Molecular Properties

Compound Name4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoyl chloride;4-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1H-tetrazol-5-one;tetramethylsilane
PubChem CID157231512
Molecular FormulaC76H95ClN4O4Si
Molecular Weight1192.16 g/mol
Exact Mass1190.68
IUPAC Name4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoyl chloride;4-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1H-tetrazol-5-one;tetramethylsilane
SMILESC=C(c1ccc(-n2nn[nH]c2=O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.C=C(c1ccc(C(=O)Cl)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.C[Si](C)(C)C
InChIInChI=1S/C24H27ClO.C24H28N4O.C24H28O2.C4H12Si/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26;1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)28-22(29)25-26-27-28;1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26;1-5(2,3)4/h7-10,13-14H,2,11-12H2,1,3-6H3;7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,27,29);7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26);1-4H3
InChIKeyAUDSRXVLTSQULR-UHFFFAOYSA-N
XLogP19.52
TPSA117.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001192.16
LogP ≤ 519.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoyl chloride;4-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1H-tetrazol-5-one;tetramethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoyl chloride;4-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1H-tetrazol-5-one;tetramethylsilane?
The IUPAC name of 4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoyl chloride;4-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1H-tetrazol-5-one;tetramethylsilane (CID 157231512) is 4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoyl chloride;4-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1H-tetrazol-5-one;tetramethylsilane.
What is the SMILES notation for 4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoyl chloride;4-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1H-tetrazol-5-one;tetramethylsilane?
The canonical SMILES for 4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoyl chloride;4-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1H-tetrazol-5-one;tetramethylsilane is C=C(c1ccc(-n2nn[nH]c2=O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.C=C(c1ccc(C(=O)Cl)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C.C[Si](C)(C)C.
What is the InChIKey of 4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoyl chloride;4-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1H-tetrazol-5-one;tetramethylsilane?
The InChIKey is AUDSRXVLTSQULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClO.C24H28N4O.C24H28O2.C4H12Si/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26;1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)28-22(29)25-26-27-28;1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26;1-5(2,3)4/h7-10,13-14H,2,11-12H2,1,3-6H3;7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,27,29);7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26);1-4H3.
What are the key properties of 4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoyl chloride;4-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1H-tetrazol-5-one;tetramethylsilane?
4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoyl chloride;4-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1H-tetrazol-5-one;tetramethylsilane has a molecular weight of 1192.16 g/mol, XLogP of 19.52, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoyl chloride;4-[4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-1H-tetrazol-5-one;tetramethylsilane is sourced from PubChem (CID 157231512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).