(2S)-2-methyl-1-[(6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]but-3-en-2-ol

C15H26O — CID 91747440

IUPAC(2S)-2-methyl-1-[(6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]but-3-en-2-ol
SMILESC=C[C@@](C)(O)CC1C=C(C)CC[C@@H]1C(C)C
InChIInChI=1S/C15H26O/c1-6-15(5,16)10-13-9-12(4)7-8-14(13)11(2)3/h6,9,11,13-14,16H,1,7-8,10H2,2-5H3/t13?,14-,15-/m1/s1
InChIKeyYDECUWOATDRFNP-JVIGXAJISA-N
MW222.37 g/mol
LogP3.94
Rot. Bonds4

About (2S)-2-methyl-1-[(6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]but-3-en-2-ol

(2S)-2-methyl-1-[(6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]but-3-en-2-ol (PubChem CID 91747440) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (2S)-2-methyl-1-[(6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]but-3-en-2-ol.

Molecular Properties

Compound Name(2S)-2-methyl-1-[(6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]but-3-en-2-ol
PubChem CID91747440
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(2S)-2-methyl-1-[(6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]but-3-en-2-ol
SMILESC=C[C@@](C)(O)CC1C=C(C)CC[C@@H]1C(C)C
InChIInChI=1S/C15H26O/c1-6-15(5,16)10-13-9-12(4)7-8-14(13)11(2)3/h6,9,11,13-14,16H,1,7-8,10H2,2-5H3/t13?,14-,15-/m1/s1
InChIKeyYDECUWOATDRFNP-JVIGXAJISA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S)-2-methyl-1-[(6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]but-3-en-2-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

(L)-alpha-terpineol
CID 443162
Alpha-Terpineol
CID 17100
Levomenol
CID 442343
Bisabolol
CID 1549992
(+)-alpha-Terpineol
CID 442501
alpha,4-Dimethyl-alpha-(4-methyl-3-penten-1-yl)-3-cyclohexene-1-methanol
CID 10586
p-Menth-3-en-1-ol
CID 11468
(1S,4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol
CID 11105550
beta-Bisabolol
CID 12300146
alpha-Bisabolol, (+)-epi-
CID 1201551
alpha-Bisabolol, (-)-epi-
CID 1616126
Himachalol
CID 121536

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-[(6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]but-3-en-2-ol?
The IUPAC name of (2S)-2-methyl-1-[(6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]but-3-en-2-ol (CID 91747440) is (2S)-2-methyl-1-[(6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]but-3-en-2-ol.
What is the SMILES notation for (2S)-2-methyl-1-[(6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]but-3-en-2-ol?
The canonical SMILES for (2S)-2-methyl-1-[(6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]but-3-en-2-ol is C=C[C@@](C)(O)CC1C=C(C)CC[C@@H]1C(C)C.
What is the InChIKey of (2S)-2-methyl-1-[(6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]but-3-en-2-ol?
The InChIKey is YDECUWOATDRFNP-JVIGXAJISA-N. The full InChI is InChI=1S/C15H26O/c1-6-15(5,16)10-13-9-12(4)7-8-14(13)11(2)3/h6,9,11,13-14,16H,1,7-8,10H2,2-5H3/t13?,14-,15-/m1/s1.
What are the key properties of (2S)-2-methyl-1-[(6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]but-3-en-2-ol?
(2S)-2-methyl-1-[(6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]but-3-en-2-ol has a molecular weight of 222.37 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-[(6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]but-3-en-2-ol is sourced from PubChem (CID 91747440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).