3-(cyclohexa-2,4-dien-1-ylmethyl)-2,4-dimethylpentan-3-ol

C14H24O — CID 102386981

IUPAC3-(cyclohexa-2,4-dien-1-ylmethyl)-2,4-dimethylpentan-3-ol
SMILESCC(C)C(O)(CC1C=CC=CC1)C(C)C
InChIInChI=1S/C14H24O/c1-11(2)14(15,12(3)4)10-13-8-6-5-7-9-13/h5-8,11-13,15H,9-10H2,1-4H3
InChIKeyZCJNPVQHOQPPMC-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.55
Rot. Bonds4

About 3-(cyclohexa-2,4-dien-1-ylmethyl)-2,4-dimethylpentan-3-ol

3-(cyclohexa-2,4-dien-1-ylmethyl)-2,4-dimethylpentan-3-ol (PubChem CID 102386981) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 3-(cyclohexa-2,4-dien-1-ylmethyl)-2,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name3-(cyclohexa-2,4-dien-1-ylmethyl)-2,4-dimethylpentan-3-ol
PubChem CID102386981
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name3-(cyclohexa-2,4-dien-1-ylmethyl)-2,4-dimethylpentan-3-ol
SMILESCC(C)C(O)(CC1C=CC=CC1)C(C)C
InChIInChI=1S/C14H24O/c1-11(2)14(15,12(3)4)10-13-8-6-5-7-9-13/h5-8,11-13,15H,9-10H2,1-4H3
InChIKeyZCJNPVQHOQPPMC-UHFFFAOYSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexa-2,4-dien-1-yl-2-methylpropan-2-ol
CID 12596377
5-[(E)-2,2-dimethylpent-3-enyl]cyclohexa-1,3-diene
CID 164675018
1-cyclohexa-2,4-dien-1-ylpropan-2-amine;methanamine
CID 153348413
N-(1-cyclohexa-2,4-dien-1-yl-2-methylbutan-2-yl)propan-2-imine
CID 90695649
5-propylcyclohexa-1,3-diene
CID 13212987
(E)-5-cyclohexa-2,4-dien-1-yl-2-methylpent-3-en-2-ol
CID 10559238
3-cyclohexa-2,4-dien-1-yl-2-methylpropan-1-amine
CID 142554560
3-cyclohexa-2,4-dien-1-yl-N-propan-2-ylprop-1-en-2-amine
CID 129144726
(1-cyclohexa-2,4-dien-1-yl-2-phenylpropan-2-yl)benzene
CID 163514556
1-cyclohexa-2,4-dien-1-yl-3,3-dimethylbutan-2-one
CID 12828212
5-(2-methylprop-2-enyl)cyclohexa-1,3-diene
CID 12596386
5-(3-methylheptyl)cyclohexa-1,3-diene
CID 23281661

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexa-2,4-dien-1-ylmethyl)-2,4-dimethylpentan-3-ol?
The IUPAC name of 3-(cyclohexa-2,4-dien-1-ylmethyl)-2,4-dimethylpentan-3-ol (CID 102386981) is 3-(cyclohexa-2,4-dien-1-ylmethyl)-2,4-dimethylpentan-3-ol.
What is the SMILES notation for 3-(cyclohexa-2,4-dien-1-ylmethyl)-2,4-dimethylpentan-3-ol?
The canonical SMILES for 3-(cyclohexa-2,4-dien-1-ylmethyl)-2,4-dimethylpentan-3-ol is CC(C)C(O)(CC1C=CC=CC1)C(C)C.
What is the InChIKey of 3-(cyclohexa-2,4-dien-1-ylmethyl)-2,4-dimethylpentan-3-ol?
The InChIKey is ZCJNPVQHOQPPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-11(2)14(15,12(3)4)10-13-8-6-5-7-9-13/h5-8,11-13,15H,9-10H2,1-4H3.
What are the key properties of 3-(cyclohexa-2,4-dien-1-ylmethyl)-2,4-dimethylpentan-3-ol?
3-(cyclohexa-2,4-dien-1-ylmethyl)-2,4-dimethylpentan-3-ol has a molecular weight of 208.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexa-2,4-dien-1-ylmethyl)-2,4-dimethylpentan-3-ol is sourced from PubChem (CID 102386981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).