(2S)-6-methyl-2-[(1S)-2-[(E)-prop-1-enyl]cyclopropyl]hept-5-en-2-ol

C14H24O — CID 15480760

IUPAC(2S)-6-methyl-2-[(1S)-2-[(E)-prop-1-enyl]cyclopropyl]hept-5-en-2-ol
SMILESC/C=C/C1C[C@@H]1[C@@](C)(O)CCC=C(C)C
InChIInChI=1S/C14H24O/c1-5-7-12-10-13(12)14(4,15)9-6-8-11(2)3/h5,7-8,12-13,15H,6,9-10H2,1-4H3/b7-5+/t12?,13-,14-/m0/s1
InChIKeyGAIBAUDTDJNFJC-CNFUDLJISA-N
MW208.34 g/mol
LogP3.70
Rot. Bonds5

About (2S)-6-methyl-2-[(1S)-2-[(E)-prop-1-enyl]cyclopropyl]hept-5-en-2-ol

(2S)-6-methyl-2-[(1S)-2-[(E)-prop-1-enyl]cyclopropyl]hept-5-en-2-ol (PubChem CID 15480760) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (2S)-6-methyl-2-[(1S)-2-[(E)-prop-1-enyl]cyclopropyl]hept-5-en-2-ol.

Molecular Properties

Compound Name(2S)-6-methyl-2-[(1S)-2-[(E)-prop-1-enyl]cyclopropyl]hept-5-en-2-ol
PubChem CID15480760
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(2S)-6-methyl-2-[(1S)-2-[(E)-prop-1-enyl]cyclopropyl]hept-5-en-2-ol
SMILESC/C=C/C1C[C@@H]1[C@@](C)(O)CCC=C(C)C
InChIInChI=1S/C14H24O/c1-5-7-12-10-13(12)14(4,15)9-6-8-11(2)3/h5,7-8,12-13,15H,6,9-10H2,1-4H3/b7-5+/t12?,13-,14-/m0/s1
InChIKeyGAIBAUDTDJNFJC-CNFUDLJISA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S)-6-methyl-2-[(1S)-2-[(E)-prop-1-enyl]cyclopropyl]hept-5-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
Terpinen-4-ol
CID 11230
Bisabolol
CID 1549992
Levomenol
CID 442343
(+)-alpha-Terpineol
CID 442501
beta-Bisabolol
CID 12300146
alpha,4-Dimethyl-alpha-(4-methyl-3-penten-1-yl)-3-cyclohexene-1-methanol
CID 10586
alpha-Bisabolol, (+)-epi-
CID 1201551
2,4,8-Trimethyl-7-nonen-2-ol
CID 14614417
4-Terpineol, (+)-
CID 2724161
alpha-Bisabolol, (-)-epi-
CID 1616126

Frequently Asked Questions

What is the IUPAC name of (2S)-6-methyl-2-[(1S)-2-[(E)-prop-1-enyl]cyclopropyl]hept-5-en-2-ol?
The IUPAC name of (2S)-6-methyl-2-[(1S)-2-[(E)-prop-1-enyl]cyclopropyl]hept-5-en-2-ol (CID 15480760) is (2S)-6-methyl-2-[(1S)-2-[(E)-prop-1-enyl]cyclopropyl]hept-5-en-2-ol.
What is the SMILES notation for (2S)-6-methyl-2-[(1S)-2-[(E)-prop-1-enyl]cyclopropyl]hept-5-en-2-ol?
The canonical SMILES for (2S)-6-methyl-2-[(1S)-2-[(E)-prop-1-enyl]cyclopropyl]hept-5-en-2-ol is C/C=C/C1C[C@@H]1[C@@](C)(O)CCC=C(C)C.
What is the InChIKey of (2S)-6-methyl-2-[(1S)-2-[(E)-prop-1-enyl]cyclopropyl]hept-5-en-2-ol?
The InChIKey is GAIBAUDTDJNFJC-CNFUDLJISA-N. The full InChI is InChI=1S/C14H24O/c1-5-7-12-10-13(12)14(4,15)9-6-8-11(2)3/h5,7-8,12-13,15H,6,9-10H2,1-4H3/b7-5+/t12?,13-,14-/m0/s1.
What are the key properties of (2S)-6-methyl-2-[(1S)-2-[(E)-prop-1-enyl]cyclopropyl]hept-5-en-2-ol?
(2S)-6-methyl-2-[(1S)-2-[(E)-prop-1-enyl]cyclopropyl]hept-5-en-2-ol has a molecular weight of 208.34 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-methyl-2-[(1S)-2-[(E)-prop-1-enyl]cyclopropyl]hept-5-en-2-ol is sourced from PubChem (CID 15480760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).