(3S)-3-methyl-5-(3,4,8,8-tetramethyl-6,7-dihydro-5H-naphthalen-2-yl)pent-1-en-3-ol

C20H30O — CID 11483060

IUPAC(3S)-3-methyl-5-(3,4,8,8-tetramethyl-6,7-dihydro-5H-naphthalen-2-yl)pent-1-en-3-ol
SMILESC=C[C@@](C)(O)CCc1cc2c(c(C)c1C)CCCC2(C)C
InChIInChI=1S/C20H30O/c1-7-20(6,21)12-10-16-13-18-17(15(3)14(16)2)9-8-11-19(18,4)5/h7,13,21H,1,8-12H2,2-6H3/t20-/m1/s1
InChIKeyFKTWCGAFOTVJGX-HXUWFJFHSA-N
MW286.46 g/mol
LogP4.79
Rot. Bonds4

About (3S)-3-methyl-5-(3,4,8,8-tetramethyl-6,7-dihydro-5H-naphthalen-2-yl)pent-1-en-3-ol

(3S)-3-methyl-5-(3,4,8,8-tetramethyl-6,7-dihydro-5H-naphthalen-2-yl)pent-1-en-3-ol (PubChem CID 11483060) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is (3S)-3-methyl-5-(3,4,8,8-tetramethyl-6,7-dihydro-5H-naphthalen-2-yl)pent-1-en-3-ol.

Molecular Properties

Compound Name(3S)-3-methyl-5-(3,4,8,8-tetramethyl-6,7-dihydro-5H-naphthalen-2-yl)pent-1-en-3-ol
PubChem CID11483060
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name(3S)-3-methyl-5-(3,4,8,8-tetramethyl-6,7-dihydro-5H-naphthalen-2-yl)pent-1-en-3-ol
SMILESC=C[C@@](C)(O)CCc1cc2c(c(C)c1C)CCCC2(C)C
InChIInChI=1S/C20H30O/c1-7-20(6,21)12-10-16-13-18-17(15(3)14(16)2)9-8-11-19(18,4)5/h7,13,21H,1,8-12H2,2-6H3/t20-/m1/s1
InChIKeyFKTWCGAFOTVJGX-HXUWFJFHSA-N
XLogP4.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3S)-3-methyl-5-(3,4,8,8-tetramethyl-6,7-dihydro-5H-naphthalen-2-yl)pent-1-en-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dehydroabietyl alcohol
CID 15586718
Hydroxychlorobactene
CID 10099075
2-(Naphthalen-2-yl)propan-2-ol
CID 598865
Kujigamberol
CID 60144403
2-Naphthaleneethanol, 5,6,7,8-tetrahydro-beta,5,5,8,8-pentamethyl-
CID 174302
[2-(3,5-Dimethylphenyl)-5-(2-methyloctan-2-yl)phenyl]methanol
CID 44431996
[4-Tert-butyl-2-(4-methylphenyl)-6-propan-2-ylphenyl]methanol
CID 57393988
[4-Tert-butyl-2-(3,4-dimethylphenyl)-6-propan-2-ylphenyl]methanol
CID 57395757
(4-Tert-butyl-2-phenyl-6-propan-2-ylphenyl)methanol
CID 57397476
[4-Tert-butyl-2-(3-methylphenyl)-6-propan-2-ylphenyl]methanol
CID 57397531
(1R,2R,4aS,8aS)-1-[(E,3R)-3-hydroxy-3-methyl-5-phenylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 118735706
(1R,2R,4aS,8aS)-1-[(E,3R)-5-(2,5-dimethylphenyl)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 118735708

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-5-(3,4,8,8-tetramethyl-6,7-dihydro-5H-naphthalen-2-yl)pent-1-en-3-ol?
The IUPAC name of (3S)-3-methyl-5-(3,4,8,8-tetramethyl-6,7-dihydro-5H-naphthalen-2-yl)pent-1-en-3-ol (CID 11483060) is (3S)-3-methyl-5-(3,4,8,8-tetramethyl-6,7-dihydro-5H-naphthalen-2-yl)pent-1-en-3-ol.
What is the SMILES notation for (3S)-3-methyl-5-(3,4,8,8-tetramethyl-6,7-dihydro-5H-naphthalen-2-yl)pent-1-en-3-ol?
The canonical SMILES for (3S)-3-methyl-5-(3,4,8,8-tetramethyl-6,7-dihydro-5H-naphthalen-2-yl)pent-1-en-3-ol is C=C[C@@](C)(O)CCc1cc2c(c(C)c1C)CCCC2(C)C.
What is the InChIKey of (3S)-3-methyl-5-(3,4,8,8-tetramethyl-6,7-dihydro-5H-naphthalen-2-yl)pent-1-en-3-ol?
The InChIKey is FKTWCGAFOTVJGX-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H30O/c1-7-20(6,21)12-10-16-13-18-17(15(3)14(16)2)9-8-11-19(18,4)5/h7,13,21H,1,8-12H2,2-6H3/t20-/m1/s1.
What are the key properties of (3S)-3-methyl-5-(3,4,8,8-tetramethyl-6,7-dihydro-5H-naphthalen-2-yl)pent-1-en-3-ol?
(3S)-3-methyl-5-(3,4,8,8-tetramethyl-6,7-dihydro-5H-naphthalen-2-yl)pent-1-en-3-ol has a molecular weight of 286.46 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-5-(3,4,8,8-tetramethyl-6,7-dihydro-5H-naphthalen-2-yl)pent-1-en-3-ol is sourced from PubChem (CID 11483060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).