6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene-2-carboxylic acid

C27H28O2 — CID 10249448

IUPAC6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene-2-carboxylic acid
SMILESC=C(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc2cc(C(=O)O)ccc2c1
InChIInChI=1S/C27H28O2/c1-17(18-6-7-21-15-22(25(28)29)9-8-20(21)14-18)19-10-11-23-24(16-19)27(4,5)13-12-26(23,2)3/h6-11,14-16H,1,12-13H2,2-5H3,(H,28,29)
InChIKeyRPYMHWFQSVJQFW-UHFFFAOYSA-N
MW384.52 g/mol
LogP6.95
Rot. Bonds3

About 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene-2-carboxylic acid

6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene-2-carboxylic acid (PubChem CID 10249448) has the molecular formula C27H28O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene-2-carboxylic acid
PubChem CID10249448
Molecular FormulaC27H28O2
Molecular Weight384.52 g/mol
Exact Mass384.21
IUPAC Name6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene-2-carboxylic acid
SMILESC=C(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc2cc(C(=O)O)ccc2c1
InChIInChI=1S/C27H28O2/c1-17(18-6-7-21-15-22(25(28)29)9-8-20(21)14-18)19-10-11-23-24(16-19)27(4,5)13-12-26(23,2)3/h6-11,14-16H,1,12-13H2,2-5H3,(H,28,29)
InChIKeyRPYMHWFQSVJQFW-UHFFFAOYSA-N
XLogP6.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene-2-carboxylic acid?
The IUPAC name of 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene-2-carboxylic acid (CID 10249448) is 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene-2-carboxylic acid?
The canonical SMILES for 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene-2-carboxylic acid is C=C(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc2cc(C(=O)O)ccc2c1.
What is the InChIKey of 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene-2-carboxylic acid?
The InChIKey is RPYMHWFQSVJQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28O2/c1-17(18-6-7-21-15-22(25(28)29)9-8-20(21)14-18)19-10-11-23-24(16-19)27(4,5)13-12-26(23,2)3/h6-11,14-16H,1,12-13H2,2-5H3,(H,28,29).
What are the key properties of 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene-2-carboxylic acid?
6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene-2-carboxylic acid has a molecular weight of 384.52 g/mol, XLogP of 6.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 10249448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).