methyl 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]naphthalene-2-carboxylate

C29H32O2 — CID 10669381

IUPACmethyl 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(C3(c4ccc5c(c4)C(C)(C)CCC5(C)C)CC3)ccc2c1
InChIInChI=1S/C29H32O2/c1-27(2)12-13-28(3,4)25-18-23(10-11-24(25)27)29(14-15-29)22-9-8-19-16-21(26(30)31-5)7-6-20(19)17-22/h6-11,16-18H,12-15H2,1-5H3
InChIKeyAXCCUCQOYSISLK-UHFFFAOYSA-N
MW412.57 g/mol
LogP7.06
Rot. Bonds3

About methyl 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]naphthalene-2-carboxylate

methyl 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]naphthalene-2-carboxylate (PubChem CID 10669381) has the molecular formula C29H32O2 and a molecular weight of 412.57 g/mol. Its IUPAC name is methyl 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]naphthalene-2-carboxylate
PubChem CID10669381
Molecular FormulaC29H32O2
Molecular Weight412.57 g/mol
Exact Mass412.24
IUPAC Namemethyl 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(C3(c4ccc5c(c4)C(C)(C)CCC5(C)C)CC3)ccc2c1
InChIInChI=1S/C29H32O2/c1-27(2)12-13-28(3,4)25-18-23(10-11-24(25)27)29(14-15-29)22-9-8-19-16-21(26(30)31-5)7-6-20(19)17-22/h6-11,16-18H,12-15H2,1-5H3
InChIKeyAXCCUCQOYSISLK-UHFFFAOYSA-N
XLogP7.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.57
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]naphthalene-2-carboxylate with MolForge

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Related Compounds

methyl 6-[(E)-N-methoxy-C-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbonimidoyl]naphthalene-2-carboxylate
CID 10622500
methyl 2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyrimidine-5-carboxylate;methyl 2-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]pyrimidine-5-carboxylate
CID 162247596
2-(6-methoxycarbonylnaphthalen-2-yl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetic acid
CID 10812545
methyl 4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]benzoate
CID 14726493
ethane;6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolan-2-yl]naphthalene-2-carboxylic acid
CID 159285090
[4-(2-oxopropyl)phenyl] 6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dithiolan-2-yl]naphthalene-2-carboxylate
CID 159347824
methyl 4-[1-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrol-2-yl]benzoate
CID 14726514
methyl 4-(8-methoxy-5,5,8-trimethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate
CID 54559623
methyl 4-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)furan-3-yl]benzoate
CID 14726501
methyl 2-fluoro-4-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate
CID 135239958
formaldehyde;1-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)ethanone
CID 67779673
6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911

Frequently Asked Questions

What is the IUPAC name of methyl 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]naphthalene-2-carboxylate?
The IUPAC name of methyl 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]naphthalene-2-carboxylate (CID 10669381) is methyl 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]naphthalene-2-carboxylate.
What is the SMILES notation for methyl 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]naphthalene-2-carboxylate?
The canonical SMILES for methyl 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]naphthalene-2-carboxylate is COC(=O)c1ccc2cc(C3(c4ccc5c(c4)C(C)(C)CCC5(C)C)CC3)ccc2c1.
What is the InChIKey of methyl 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]naphthalene-2-carboxylate?
The InChIKey is AXCCUCQOYSISLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32O2/c1-27(2)12-13-28(3,4)25-18-23(10-11-24(25)27)29(14-15-29)22-9-8-19-16-21(26(30)31-5)7-6-20(19)17-22/h6-11,16-18H,12-15H2,1-5H3.
What are the key properties of methyl 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]naphthalene-2-carboxylate?
methyl 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]naphthalene-2-carboxylate has a molecular weight of 412.57 g/mol, XLogP of 7.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]naphthalene-2-carboxylate is sourced from PubChem (CID 10669381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).