[(4S,4aR,5R,6S,8aR)-4-but-3-enyl-3,4a,6-trimethyl-5-(3-methylbut-3-enyl)-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane

C25H44OSi — CID 99771691

IUPAC[(4S,4aR,5R,6S,8aR)-4-but-3-enyl-3,4a,6-trimethyl-5-(3-methylbut-3-enyl)-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane
SMILESC=CCC[C@@H]1C(C)=C(O[Si](C)(C)C)C[C@H]2CC[C@H](C)[C@@H](CCC(=C)C)[C@@]21C
InChIInChI=1S/C25H44OSi/c1-10-11-12-23-20(5)24(26-27(7,8)9)17-21-15-14-19(4)22(25(21,23)6)16-13-18(2)3/h10,19,21-23H,1-2,11-17H2,3-9H3/t19-,21+,22+,23+,25+/m0/s1
InChIKeyXIMIJVFNHYZRJD-ANYFMGCHSA-N
MW388.71 g/mol
LogP8.12
Rot. Bonds8

About [(4S,4aR,5R,6S,8aR)-4-but-3-enyl-3,4a,6-trimethyl-5-(3-methylbut-3-enyl)-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane

[(4S,4aR,5R,6S,8aR)-4-but-3-enyl-3,4a,6-trimethyl-5-(3-methylbut-3-enyl)-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane (PubChem CID 99771691) has the molecular formula C25H44OSi and a molecular weight of 388.71 g/mol. Its IUPAC name is [(4S,4aR,5R,6S,8aR)-4-but-3-enyl-3,4a,6-trimethyl-5-(3-methylbut-3-enyl)-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(4S,4aR,5R,6S,8aR)-4-but-3-enyl-3,4a,6-trimethyl-5-(3-methylbut-3-enyl)-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane
PubChem CID99771691
Molecular FormulaC25H44OSi
Molecular Weight388.71 g/mol
Exact Mass388.32
IUPAC Name[(4S,4aR,5R,6S,8aR)-4-but-3-enyl-3,4a,6-trimethyl-5-(3-methylbut-3-enyl)-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane
SMILESC=CCC[C@@H]1C(C)=C(O[Si](C)(C)C)C[C@H]2CC[C@H](C)[C@@H](CCC(=C)C)[C@@]21C
InChIInChI=1S/C25H44OSi/c1-10-11-12-23-20(5)24(26-27(7,8)9)17-21-15-14-19(4)22(25(21,23)6)16-13-18(2)3/h10,19,21-23H,1-2,11-17H2,3-9H3/t19-,21+,22+,23+,25+/m0/s1
InChIKeyXIMIJVFNHYZRJD-ANYFMGCHSA-N
XLogP8.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.71
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(4S,4aR,5R,6S,8aR)-4-but-3-enyl-3,4a,6-trimethyl-5-(3-methylbut-3-enyl)-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4S,4aR,5R,6S,8aR)-4-but-3-enyl-3,4a,6-trimethyl-5-(3-methylbut-3-enyl)-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane?
The IUPAC name of [(4S,4aR,5R,6S,8aR)-4-but-3-enyl-3,4a,6-trimethyl-5-(3-methylbut-3-enyl)-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane (CID 99771691) is [(4S,4aR,5R,6S,8aR)-4-but-3-enyl-3,4a,6-trimethyl-5-(3-methylbut-3-enyl)-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(4S,4aR,5R,6S,8aR)-4-but-3-enyl-3,4a,6-trimethyl-5-(3-methylbut-3-enyl)-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(4S,4aR,5R,6S,8aR)-4-but-3-enyl-3,4a,6-trimethyl-5-(3-methylbut-3-enyl)-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane is C=CCC[C@@H]1C(C)=C(O[Si](C)(C)C)C[C@H]2CC[C@H](C)[C@@H](CCC(=C)C)[C@@]21C.
What is the InChIKey of [(4S,4aR,5R,6S,8aR)-4-but-3-enyl-3,4a,6-trimethyl-5-(3-methylbut-3-enyl)-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane?
The InChIKey is XIMIJVFNHYZRJD-ANYFMGCHSA-N. The full InChI is InChI=1S/C25H44OSi/c1-10-11-12-23-20(5)24(26-27(7,8)9)17-21-15-14-19(4)22(25(21,23)6)16-13-18(2)3/h10,19,21-23H,1-2,11-17H2,3-9H3/t19-,21+,22+,23+,25+/m0/s1.
What are the key properties of [(4S,4aR,5R,6S,8aR)-4-but-3-enyl-3,4a,6-trimethyl-5-(3-methylbut-3-enyl)-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane?
[(4S,4aR,5R,6S,8aR)-4-but-3-enyl-3,4a,6-trimethyl-5-(3-methylbut-3-enyl)-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane has a molecular weight of 388.71 g/mol, XLogP of 8.12, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,4aR,5R,6S,8aR)-4-but-3-enyl-3,4a,6-trimethyl-5-(3-methylbut-3-enyl)-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 99771691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).