1-pent-4-enylcyclohexan-1-ol

C11H20O — CID 13409119

IUPAC1-pent-4-enylcyclohexan-1-ol
SMILESC=CCCCC1(O)CCCCC1
InChIInChI=1S/C11H20O/c1-2-3-5-8-11(12)9-6-4-7-10-11/h2,12H,1,3-10H2
InChIKeyOERQUKIQIYDCDR-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.04
Rot. Bonds4

About 1-pent-4-enylcyclohexan-1-ol

1-pent-4-enylcyclohexan-1-ol (PubChem CID 13409119) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-pent-4-enylcyclohexan-1-ol.

Molecular Properties

Compound Name1-pent-4-enylcyclohexan-1-ol
PubChem CID13409119
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-pent-4-enylcyclohexan-1-ol
SMILESC=CCCCC1(O)CCCCC1
InChIInChI=1S/C11H20O/c1-2-3-5-8-11(12)9-6-4-7-10-11/h2,12H,1,3-10H2
InChIKeyOERQUKIQIYDCDR-UHFFFAOYSA-N
XLogP3.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Vinylcyclohexyl alcohol
CID 74741
1-Allyl-1-cyclohexanol
CID 79145
11-Dodecen-2-ol, 2-methyl-
CID 118672
2-Cyclohexylpent-4-en-2-ol
CID 15497572
Cyclohexanol, 1-(1,2-propadienyl)-
CID 567322
Cyclohexanol, 1-(2-methyl-2-propenyl)-
CID 10898910
Cyclododecanol, 1-(2-propenyl)-
CID 11770111
4-Methylnon-1-en-4-ol
CID 12504822
3-Ethyloct-7-en-3-ol
CID 57261069
5-Methyl-1-undecen-5-ol
CID 12888305
2-Cyclohexyl-hex-5-en-2-ol
CID 538697
Cyclohexanol, 1-(1-methyl-2-propenyl)-
CID 3496268

Frequently Asked Questions

What is the IUPAC name of 1-pent-4-enylcyclohexan-1-ol?
The IUPAC name of 1-pent-4-enylcyclohexan-1-ol (CID 13409119) is 1-pent-4-enylcyclohexan-1-ol.
What is the SMILES notation for 1-pent-4-enylcyclohexan-1-ol?
The canonical SMILES for 1-pent-4-enylcyclohexan-1-ol is C=CCCCC1(O)CCCCC1.
What is the InChIKey of 1-pent-4-enylcyclohexan-1-ol?
The InChIKey is OERQUKIQIYDCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-2-3-5-8-11(12)9-6-4-7-10-11/h2,12H,1,3-10H2.
What are the key properties of 1-pent-4-enylcyclohexan-1-ol?
1-pent-4-enylcyclohexan-1-ol has a molecular weight of 168.28 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enylcyclohexan-1-ol is sourced from PubChem (CID 13409119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).