8-methyl-8-propan-2-yl-6,7-dihydro-5H-naphthalene-2-carboxylic acid

C15H20O2 — CID 170601628

IUPAC8-methyl-8-propan-2-yl-6,7-dihydro-5H-naphthalene-2-carboxylic acid
SMILESCC(C)C1(C)CCCc2ccc(C(=O)O)cc21
InChIInChI=1S/C15H20O2/c1-10(2)15(3)8-4-5-11-6-7-12(14(16)17)9-13(11)15/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyKGJYIYSSXDSMPP-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.63
Rot. Bonds2

About 8-methyl-8-propan-2-yl-6,7-dihydro-5H-naphthalene-2-carboxylic acid

8-methyl-8-propan-2-yl-6,7-dihydro-5H-naphthalene-2-carboxylic acid (PubChem CID 170601628) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 8-methyl-8-propan-2-yl-6,7-dihydro-5H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-methyl-8-propan-2-yl-6,7-dihydro-5H-naphthalene-2-carboxylic acid
PubChem CID170601628
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name8-methyl-8-propan-2-yl-6,7-dihydro-5H-naphthalene-2-carboxylic acid
SMILESCC(C)C1(C)CCCc2ccc(C(=O)O)cc21
InChIInChI=1S/C15H20O2/c1-10(2)15(3)8-4-5-11-6-7-12(14(16)17)9-13(11)15/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyKGJYIYSSXDSMPP-UHFFFAOYSA-N
XLogP3.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide
CID 177033599
5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene-3-carboxylic acid
CID 18989995
8,8-difluoro-6,7-dihydro-5H-naphthalene-2-carboxylic acid
CID 84678898
4-[(Z)-2-(8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)prop-1-enyl]benzoic acid
CID 22026423
3,5-dimethyl-3-propan-2-yl-1,2-dihydroindene
CID 169145342
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
CID 163567467
1-(2-methylpropyl)-3,4-dihydro-2H-quinoline-7-carboxylic acid
CID 82263645
6-fluoro-6-methyl-7,8-dihydro-5H-naphthalene-2-carboxylic acid
CID 84675953
methane;3-methyl-3-propan-2-yl-1,2-dihydroindene
CID 176568609
1-(1-methylcyclohexanecarbonyl)-2,3-dihydroindole-6-carboxylic acid
CID 106826429
3-ethyl-3-propan-2-yl-1,2-dihydroindene-5-carboxamide
CID 174154365
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid
CID 113382385

Frequently Asked Questions

What is the IUPAC name of 8-methyl-8-propan-2-yl-6,7-dihydro-5H-naphthalene-2-carboxylic acid?
The IUPAC name of 8-methyl-8-propan-2-yl-6,7-dihydro-5H-naphthalene-2-carboxylic acid (CID 170601628) is 8-methyl-8-propan-2-yl-6,7-dihydro-5H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 8-methyl-8-propan-2-yl-6,7-dihydro-5H-naphthalene-2-carboxylic acid?
The canonical SMILES for 8-methyl-8-propan-2-yl-6,7-dihydro-5H-naphthalene-2-carboxylic acid is CC(C)C1(C)CCCc2ccc(C(=O)O)cc21.
What is the InChIKey of 8-methyl-8-propan-2-yl-6,7-dihydro-5H-naphthalene-2-carboxylic acid?
The InChIKey is KGJYIYSSXDSMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10(2)15(3)8-4-5-11-6-7-12(14(16)17)9-13(11)15/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of 8-methyl-8-propan-2-yl-6,7-dihydro-5H-naphthalene-2-carboxylic acid?
8-methyl-8-propan-2-yl-6,7-dihydro-5H-naphthalene-2-carboxylic acid has a molecular weight of 232.32 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8-propan-2-yl-6,7-dihydro-5H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 170601628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).