1-(cyclohexen-1-yl)-4-ethyloctan-2-ol

C16H30O — CID 116660029

IUPAC1-(cyclohexen-1-yl)-4-ethyloctan-2-ol
SMILESCCCCC(CC)CC(O)CC1=CCCCC1
InChIInChI=1S/C16H30O/c1-3-5-9-14(4-2)12-16(17)13-15-10-7-6-8-11-15/h10,14,16-17H,3-9,11-13H2,1-2H3
InChIKeyXVUZPIRJMUWTLC-UHFFFAOYSA-N
MW238.41 g/mol
LogP4.84
Rot. Bonds8

About 1-(cyclohexen-1-yl)-4-ethyloctan-2-ol

1-(cyclohexen-1-yl)-4-ethyloctan-2-ol (PubChem CID 116660029) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-4-ethyloctan-2-ol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-4-ethyloctan-2-ol
PubChem CID116660029
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name1-(cyclohexen-1-yl)-4-ethyloctan-2-ol
SMILESCCCCC(CC)CC(O)CC1=CCCCC1
InChIInChI=1S/C16H30O/c1-3-5-9-14(4-2)12-16(17)13-15-10-7-6-8-11-15/h10,14,16-17H,3-9,11-13H2,1-2H3
InChIKeyXVUZPIRJMUWTLC-UHFFFAOYSA-N
XLogP4.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.84
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

4-ethyl-1-(4-methylphenyl)octan-2-ol
CID 63410684
1-(cyclohexen-1-yl)-5-ethylsulfonylpentan-2-ol
CID 116660193
1-(cyclohexen-1-yl)hex-5-yn-2-ol
CID 116660119
1-(cyclohexen-1-yl)-3-methylhexan-2-ol
CID 107893039
2-(butan-2-ylamino)-1-[(1Z)-cyclononen-1-yl]-4,5-dimethylnonan-3-ol
CID 134389538
2-(cyclopenten-1-ylmethyl)butan-1-ol
CID 131227127
1-(2,5-dimethylphenyl)-4-ethyloctan-2-ol
CID 114981430
1-(cyclohepten-1-yl)-3-ethylheptan-2-one
CID 91557900
ethane;1-(2-methylpentyl)cyclohexene
CID 144539810
4-ethyl-1-naphthalen-2-yloctan-2-ol
CID 105080592
1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol
CID 12622752
1-(cyclohexen-1-yl)-N-ethylundecan-2-amine
CID 116661766

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-4-ethyloctan-2-ol?
The IUPAC name of 1-(cyclohexen-1-yl)-4-ethyloctan-2-ol (CID 116660029) is 1-(cyclohexen-1-yl)-4-ethyloctan-2-ol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-4-ethyloctan-2-ol?
The canonical SMILES for 1-(cyclohexen-1-yl)-4-ethyloctan-2-ol is CCCCC(CC)CC(O)CC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-4-ethyloctan-2-ol?
The InChIKey is XVUZPIRJMUWTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-3-5-9-14(4-2)12-16(17)13-15-10-7-6-8-11-15/h10,14,16-17H,3-9,11-13H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-4-ethyloctan-2-ol?
1-(cyclohexen-1-yl)-4-ethyloctan-2-ol has a molecular weight of 238.41 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-4-ethyloctan-2-ol is sourced from PubChem (CID 116660029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).