6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol

C15H25O+ — CID 123719125

IUPAC6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol
SMILES[CH2+]C(O)(CCC=C(C)C)C1CC=C(C)CC1
InChIInChI=1S/C15H25O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,4-5,8-11H2,1-3H3/q+1
InChIKeyYRONIZFQZADKOC-UHFFFAOYSA-N
MW221.36 g/mol
LogP4.04
Rot. Bonds4

About 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol

6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol (PubChem CID 123719125) has the molecular formula C15H25O+ and a molecular weight of 221.36 g/mol. Its IUPAC name is 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol.

Molecular Properties

Compound Name6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol
PubChem CID123719125
Molecular FormulaC15H25O+
Molecular Weight221.36 g/mol
Exact Mass221.19
IUPAC Name6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol
SMILES[CH2+]C(O)(CCC=C(C)C)C1CC=C(C)CC1
InChIInChI=1S/C15H25O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,4-5,8-11H2,1-3H3/q+1
InChIKeyYRONIZFQZADKOC-UHFFFAOYSA-N
XLogP4.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine
CID 14658574
[6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methylazanide
CID 163157332
N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]acetamide
CID 14658569
N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]formamide
CID 25104904
[(2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl] formate
CID 87471905
[6,10-dimethyl-2-(4-methylcyclohex-3-en-1-yl)undeca-5,9-dien-2-yl]-methanidylazanium
CID 163157331
3,7-dimethylocta-1,6-dien-3-yl acetate;2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate
CID 174813081
(E,6R)-6-hydroxy-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-2-enoic acid
CID 143944061
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]oxyoxane-3,4,5-triol
CID 42603665
2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
CID 23186359
(5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol
CID 134827941
1-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]-3-pentadecylurea
CID 163110463

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol?
The IUPAC name of 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol (CID 123719125) is 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol.
What is the SMILES notation for 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol?
The canonical SMILES for 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol is [CH2+]C(O)(CCC=C(C)C)C1CC=C(C)CC1.
What is the InChIKey of 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol?
The InChIKey is YRONIZFQZADKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,4-5,8-11H2,1-3H3/q+1.
What are the key properties of 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol?
6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol has a molecular weight of 221.36 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol is sourced from PubChem (CID 123719125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).