(1S,2S,5R)-2-ethenyl-2-methyl-5-propan-2-yl-1-prop-1-en-2-ylcyclohexan-1-ol

C15H26O — CID 10857067

IUPAC(1S,2S,5R)-2-ethenyl-2-methyl-5-propan-2-yl-1-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C[C@]1(C)CC[C@@H](C(C)C)C[C@]1(O)C(=C)C
InChIInChI=1S/C15H26O/c1-7-14(6)9-8-13(11(2)3)10-15(14,16)12(4)5/h7,11,13,16H,1,4,8-10H2,2-3,5-6H3/t13-,14-,15+/m1/s1
InChIKeyBILDAKCAZCJAJZ-KFWWJZLASA-N
MW222.37 g/mol
LogP3.94
Rot. Bonds3

About (1S,2S,5R)-2-ethenyl-2-methyl-5-propan-2-yl-1-prop-1-en-2-ylcyclohexan-1-ol

(1S,2S,5R)-2-ethenyl-2-methyl-5-propan-2-yl-1-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 10857067) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1S,2S,5R)-2-ethenyl-2-methyl-5-propan-2-yl-1-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,5R)-2-ethenyl-2-methyl-5-propan-2-yl-1-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID10857067
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1S,2S,5R)-2-ethenyl-2-methyl-5-propan-2-yl-1-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C[C@]1(C)CC[C@@H](C(C)C)C[C@]1(O)C(=C)C
InChIInChI=1S/C15H26O/c1-7-14(6)9-8-13(11(2)3)10-15(14,16)12(4)5/h7,11,13,16H,1,4,8-10H2,2-3,5-6H3/t13-,14-,15+/m1/s1
InChIKeyBILDAKCAZCJAJZ-KFWWJZLASA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 (1S,2S,5R)-2-ethenyl-2-methyl-5-propan-2-yl-1-prop-1-en-2-ylcyclohexan-1-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

(1S,2R,5R)-2-ethenyl-2,6,6-trimethyl-1-prop-1-en-2-ylbicyclo[3.2.0]heptane
CID 101379953
1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate
CID 141162449
3-but-3-en-2-yl-1-methylcyclopentan-1-ol
CID 123602415
1-fluoro-1-methyl-3-propan-2-ylcyclopentane
CID 118410768
1-ethenyl-1-methyl-2-propan-2-yl-4-prop-1-en-2-ylcyclohexane
CID 100977936
(1S,2S,3R)-1-ethenyl-1-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclohexane
CID 163017053
1-hydroxy-4-propan-2-ylcyclohexane-1-carbaldehyde
CID 130035277
(1R,2R,3R,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 101280480
(3aS,6R,7aS)-7a-hydroxy-3a-methyl-6-propan-2-yl-3-prop-2-enyl-4,5,6,7-tetrahydro-3H-1-benzofuran-2-one
CID 11779991
1-(methoxymethyl)-1-methyl-3-propan-2-ylcyclopentane
CID 141214985
1-ethenyl-1-methyl-2,2-bis(prop-1-en-2-yl)cyclohexane
CID 173318053
1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane
CID 15579949

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-2-ethenyl-2-methyl-5-propan-2-yl-1-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of (1S,2S,5R)-2-ethenyl-2-methyl-5-propan-2-yl-1-prop-1-en-2-ylcyclohexan-1-ol (CID 10857067) is (1S,2S,5R)-2-ethenyl-2-methyl-5-propan-2-yl-1-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1S,2S,5R)-2-ethenyl-2-methyl-5-propan-2-yl-1-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for (1S,2S,5R)-2-ethenyl-2-methyl-5-propan-2-yl-1-prop-1-en-2-ylcyclohexan-1-ol is C=C[C@]1(C)CC[C@@H](C(C)C)C[C@]1(O)C(=C)C.
What is the InChIKey of (1S,2S,5R)-2-ethenyl-2-methyl-5-propan-2-yl-1-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is BILDAKCAZCJAJZ-KFWWJZLASA-N. The full InChI is InChI=1S/C15H26O/c1-7-14(6)9-8-13(11(2)3)10-15(14,16)12(4)5/h7,11,13,16H,1,4,8-10H2,2-3,5-6H3/t13-,14-,15+/m1/s1.
What are the key properties of (1S,2S,5R)-2-ethenyl-2-methyl-5-propan-2-yl-1-prop-1-en-2-ylcyclohexan-1-ol?
(1S,2S,5R)-2-ethenyl-2-methyl-5-propan-2-yl-1-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 222.37 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-2-ethenyl-2-methyl-5-propan-2-yl-1-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 10857067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).