(2R)-6-methyl-2-[(1S)-4-methylidenecyclohex-2-en-1-yl]hept-5-en-3-ol

C15H24O — CID 91749844

IUPAC(2R)-6-methyl-2-[(1S)-4-methylidenecyclohex-2-en-1-yl]hept-5-en-3-ol
SMILESC=C1C=C[C@@H]([C@@H](C)C(O)CC=C(C)C)CC1
InChIInChI=1S/C15H24O/c1-11(2)5-10-15(16)13(4)14-8-6-12(3)7-9-14/h5-6,8,13-16H,3,7,9-10H2,1-2,4H3/t13-,14-,15?/m1/s1
InChIKeyCOLXZUVHIZOLPD-GRKKQISMSA-N
MW220.36 g/mol
LogP3.86
Rot. Bonds4

About (2R)-6-methyl-2-[(1S)-4-methylidenecyclohex-2-en-1-yl]hept-5-en-3-ol

(2R)-6-methyl-2-[(1S)-4-methylidenecyclohex-2-en-1-yl]hept-5-en-3-ol (PubChem CID 91749844) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (2R)-6-methyl-2-[(1S)-4-methylidenecyclohex-2-en-1-yl]hept-5-en-3-ol.

Molecular Properties

Compound Name(2R)-6-methyl-2-[(1S)-4-methylidenecyclohex-2-en-1-yl]hept-5-en-3-ol
PubChem CID91749844
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(2R)-6-methyl-2-[(1S)-4-methylidenecyclohex-2-en-1-yl]hept-5-en-3-ol
SMILESC=C1C=C[C@@H]([C@@H](C)C(O)CC=C(C)C)CC1
InChIInChI=1S/C15H24O/c1-11(2)5-10-15(16)13(4)14-8-6-12(3)7-9-14/h5-6,8,13-16H,3,7,9-10H2,1-2,4H3/t13-,14-,15?/m1/s1
InChIKeyCOLXZUVHIZOLPD-GRKKQISMSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-methyl-2-[(1S)-4-methylidenecyclohex-2-en-1-yl]hept-5-en-3-ol?
The IUPAC name of (2R)-6-methyl-2-[(1S)-4-methylidenecyclohex-2-en-1-yl]hept-5-en-3-ol (CID 91749844) is (2R)-6-methyl-2-[(1S)-4-methylidenecyclohex-2-en-1-yl]hept-5-en-3-ol.
What is the SMILES notation for (2R)-6-methyl-2-[(1S)-4-methylidenecyclohex-2-en-1-yl]hept-5-en-3-ol?
The canonical SMILES for (2R)-6-methyl-2-[(1S)-4-methylidenecyclohex-2-en-1-yl]hept-5-en-3-ol is C=C1C=C[C@@H]([C@@H](C)C(O)CC=C(C)C)CC1.
What is the InChIKey of (2R)-6-methyl-2-[(1S)-4-methylidenecyclohex-2-en-1-yl]hept-5-en-3-ol?
The InChIKey is COLXZUVHIZOLPD-GRKKQISMSA-N. The full InChI is InChI=1S/C15H24O/c1-11(2)5-10-15(16)13(4)14-8-6-12(3)7-9-14/h5-6,8,13-16H,3,7,9-10H2,1-2,4H3/t13-,14-,15?/m1/s1.
What are the key properties of (2R)-6-methyl-2-[(1S)-4-methylidenecyclohex-2-en-1-yl]hept-5-en-3-ol?
(2R)-6-methyl-2-[(1S)-4-methylidenecyclohex-2-en-1-yl]hept-5-en-3-ol has a molecular weight of 220.36 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-methyl-2-[(1S)-4-methylidenecyclohex-2-en-1-yl]hept-5-en-3-ol is sourced from PubChem (CID 91749844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).