(5S,8R)-5-methyl-8-propan-2-yl-3,4,5,6,7,8-hexahydronaphthalene-2-carboxylic acid

C15H22O2 — CID 171354618

IUPAC(5S,8R)-5-methyl-8-propan-2-yl-3,4,5,6,7,8-hexahydronaphthalene-2-carboxylic acid
SMILESCC(C)[C@H]1CC[C@H](C)C2=C1C=C(C(=O)O)CC2
InChIInChI=1S/C15H22O2/c1-9(2)12-6-4-10(3)13-7-5-11(15(16)17)8-14(12)13/h8-10,12H,4-7H2,1-3H3,(H,16,17)/t10-,12+/m0/s1
InChIKeyRCGTUQOTSVCVCF-CMPLNLGQSA-N
MW234.34 g/mol
LogP3.79
Rot. Bonds2

About (5S,8R)-5-methyl-8-propan-2-yl-3,4,5,6,7,8-hexahydronaphthalene-2-carboxylic acid

(5S,8R)-5-methyl-8-propan-2-yl-3,4,5,6,7,8-hexahydronaphthalene-2-carboxylic acid (PubChem CID 171354618) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (5S,8R)-5-methyl-8-propan-2-yl-3,4,5,6,7,8-hexahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name(5S,8R)-5-methyl-8-propan-2-yl-3,4,5,6,7,8-hexahydronaphthalene-2-carboxylic acid
PubChem CID171354618
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(5S,8R)-5-methyl-8-propan-2-yl-3,4,5,6,7,8-hexahydronaphthalene-2-carboxylic acid
SMILESCC(C)[C@H]1CC[C@H](C)C2=C1C=C(C(=O)O)CC2
InChIInChI=1S/C15H22O2/c1-9(2)12-6-4-10(3)13-7-5-11(15(16)17)8-14(12)13/h8-10,12H,4-7H2,1-3H3,(H,16,17)/t10-,12+/m0/s1
InChIKeyRCGTUQOTSVCVCF-CMPLNLGQSA-N
XLogP3.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (5S,8R)-5-methyl-8-propan-2-yl-3,4,5,6,7,8-hexahydronaphthalene-2-carboxylic acid with MolForge

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Related Compounds

Perillic Acid
CID 1256
Artemisinic Acid
CID 10922465
(S)-Oleuropeic acid
CID 12313716
Oleuropeic acid
CID 188320
Hinokiic acid
CID 12310495
(S)-(-)-Perillic acid
CID 2724160
NCGC00169769-02_C15H22O2_2-Naphthaleneacetic acid, 1,2,3,5,6,7,8,8a-octahydro-8,8a-dimethyl-alpha-methylene-, (2R,8S,8aR)-
CID 23786282
Perillic Acid (-)
CID 5702197
Isocostic acid
CID 10922464
Tessaric Acid
CID 14527134
(4aR,5S,8S,8aR)-5-methyl-8-prop-1-en-2-yl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid
CID 101921655
Triptoquinone A
CID 132524

Frequently Asked Questions

What is the IUPAC name of (5S,8R)-5-methyl-8-propan-2-yl-3,4,5,6,7,8-hexahydronaphthalene-2-carboxylic acid?
The IUPAC name of (5S,8R)-5-methyl-8-propan-2-yl-3,4,5,6,7,8-hexahydronaphthalene-2-carboxylic acid (CID 171354618) is (5S,8R)-5-methyl-8-propan-2-yl-3,4,5,6,7,8-hexahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for (5S,8R)-5-methyl-8-propan-2-yl-3,4,5,6,7,8-hexahydronaphthalene-2-carboxylic acid?
The canonical SMILES for (5S,8R)-5-methyl-8-propan-2-yl-3,4,5,6,7,8-hexahydronaphthalene-2-carboxylic acid is CC(C)[C@H]1CC[C@H](C)C2=C1C=C(C(=O)O)CC2.
What is the InChIKey of (5S,8R)-5-methyl-8-propan-2-yl-3,4,5,6,7,8-hexahydronaphthalene-2-carboxylic acid?
The InChIKey is RCGTUQOTSVCVCF-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H22O2/c1-9(2)12-6-4-10(3)13-7-5-11(15(16)17)8-14(12)13/h8-10,12H,4-7H2,1-3H3,(H,16,17)/t10-,12+/m0/s1.
What are the key properties of (5S,8R)-5-methyl-8-propan-2-yl-3,4,5,6,7,8-hexahydronaphthalene-2-carboxylic acid?
(5S,8R)-5-methyl-8-propan-2-yl-3,4,5,6,7,8-hexahydronaphthalene-2-carboxylic acid has a molecular weight of 234.34 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8R)-5-methyl-8-propan-2-yl-3,4,5,6,7,8-hexahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 171354618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).