4-ethyl-2-(4-methylcyclohex-3-en-1-yl)hexan-2-ol

C15H28O — CID 14610889

IUPAC4-ethyl-2-(4-methylcyclohex-3-en-1-yl)hexan-2-ol
SMILESCCC(CC)CC(C)(O)C1CC=C(C)CC1
InChIInChI=1S/C15H28O/c1-5-13(6-2)11-15(4,16)14-9-7-12(3)8-10-14/h7,13-14,16H,5-6,8-11H2,1-4H3
InChIKeyYCZZRYCZWRMNRN-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.31
Rot. Bonds5

About 4-ethyl-2-(4-methylcyclohex-3-en-1-yl)hexan-2-ol

4-ethyl-2-(4-methylcyclohex-3-en-1-yl)hexan-2-ol (PubChem CID 14610889) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 4-ethyl-2-(4-methylcyclohex-3-en-1-yl)hexan-2-ol.

Molecular Properties

Compound Name4-ethyl-2-(4-methylcyclohex-3-en-1-yl)hexan-2-ol
PubChem CID14610889
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name4-ethyl-2-(4-methylcyclohex-3-en-1-yl)hexan-2-ol
SMILESCCC(CC)CC(C)(O)C1CC=C(C)CC1
InChIInChI=1S/C15H28O/c1-5-13(6-2)11-15(4,16)14-9-7-12(3)8-10-14/h7,13-14,16H,5-6,8-11H2,1-4H3
InChIKeyYCZZRYCZWRMNRN-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.31
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

2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
CID 23186359
(2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,5-diol
CID 14707137
ethane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
CID 145316988
2-cyclohexyl-4-ethylhexan-2-ol
CID 114794849
2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol
CID 6443020
2-[(3E,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol
CID 101418223
4-tert-butyl-1-methylcyclohexene;ethane
CID 143859971
2-(4-methylcyclohex-3-en-1-yl)-1-(2-methyl-5-propan-2-ylidenecyclohexen-1-yl)propan-2-ol
CID 175901783
(E,6R)-6-hydroxy-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-2-enoic acid
CID 143944061
2-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]ethanol
CID 3016990
[4-methyl-4-(4-methylcyclohex-3-en-1-yl)hexan-2-yl]benzene
CID 18720631
2-[4-(trideuteriomethyl)cyclohex-3-en-1-yl]propan-2-ol
CID 175869435

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-methylcyclohex-3-en-1-yl)hexan-2-ol?
The IUPAC name of 4-ethyl-2-(4-methylcyclohex-3-en-1-yl)hexan-2-ol (CID 14610889) is 4-ethyl-2-(4-methylcyclohex-3-en-1-yl)hexan-2-ol.
What is the SMILES notation for 4-ethyl-2-(4-methylcyclohex-3-en-1-yl)hexan-2-ol?
The canonical SMILES for 4-ethyl-2-(4-methylcyclohex-3-en-1-yl)hexan-2-ol is CCC(CC)CC(C)(O)C1CC=C(C)CC1.
What is the InChIKey of 4-ethyl-2-(4-methylcyclohex-3-en-1-yl)hexan-2-ol?
The InChIKey is YCZZRYCZWRMNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-5-13(6-2)11-15(4,16)14-9-7-12(3)8-10-14/h7,13-14,16H,5-6,8-11H2,1-4H3.
What are the key properties of 4-ethyl-2-(4-methylcyclohex-3-en-1-yl)hexan-2-ol?
4-ethyl-2-(4-methylcyclohex-3-en-1-yl)hexan-2-ol has a molecular weight of 224.39 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-methylcyclohex-3-en-1-yl)hexan-2-ol is sourced from PubChem (CID 14610889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).