1-cyclohexa-2,4-dien-1-yl-2-methylpropan-2-ol

C10H16O — CID 12596377

IUPAC1-cyclohexa-2,4-dien-1-yl-2-methylpropan-2-ol
SMILESCC(C)(O)CC1C=CC=CC1
InChIInChI=1S/C10H16O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-6,9,11H,7-8H2,1-2H3
InChIKeyIZQVFPDRSZRJJO-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.28
Rot. Bonds2

About 1-cyclohexa-2,4-dien-1-yl-2-methylpropan-2-ol

1-cyclohexa-2,4-dien-1-yl-2-methylpropan-2-ol (PubChem CID 12596377) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-cyclohexa-2,4-dien-1-yl-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-cyclohexa-2,4-dien-1-yl-2-methylpropan-2-ol
PubChem CID12596377
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-cyclohexa-2,4-dien-1-yl-2-methylpropan-2-ol
SMILESCC(C)(O)CC1C=CC=CC1
InChIInChI=1S/C10H16O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-6,9,11H,7-8H2,1-2H3
InChIKeyIZQVFPDRSZRJJO-UHFFFAOYSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(cyclohexa-2,4-dien-1-ylmethyl)-2,4-dimethylpentan-3-ol
CID 102386981
5-[(E)-2,2-dimethylpent-3-enyl]cyclohexa-1,3-diene
CID 164675018
N-(1-cyclohexa-2,4-dien-1-yl-2-methylbutan-2-yl)propan-2-imine
CID 90695649
(E)-5-cyclohexa-2,4-dien-1-yl-2-methylpent-3-en-2-ol
CID 10559238
(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-propylcyclohexa-1,3-diene
CID 13212987
5-(2-methylprop-2-enyl)cyclohexa-1,3-diene
CID 12596386
5-(ethoxymethyl)cyclohexa-1,3-diene
CID 23229072
2-cyclohexa-2,4-dien-1-yl-N-ethylacetamide
CID 54481215
1-cyclohexa-2,4-dien-1-ylpropan-2-amine;methanamine
CID 153348413
5-[(2Z)-4-methylpenta-2,4-dienyl]cyclohexa-1,3-diene
CID 163780403

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-2,4-dien-1-yl-2-methylpropan-2-ol?
The IUPAC name of 1-cyclohexa-2,4-dien-1-yl-2-methylpropan-2-ol (CID 12596377) is 1-cyclohexa-2,4-dien-1-yl-2-methylpropan-2-ol.
What is the SMILES notation for 1-cyclohexa-2,4-dien-1-yl-2-methylpropan-2-ol?
The canonical SMILES for 1-cyclohexa-2,4-dien-1-yl-2-methylpropan-2-ol is CC(C)(O)CC1C=CC=CC1.
What is the InChIKey of 1-cyclohexa-2,4-dien-1-yl-2-methylpropan-2-ol?
The InChIKey is IZQVFPDRSZRJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-6,9,11H,7-8H2,1-2H3.
What are the key properties of 1-cyclohexa-2,4-dien-1-yl-2-methylpropan-2-ol?
1-cyclohexa-2,4-dien-1-yl-2-methylpropan-2-ol has a molecular weight of 152.24 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-2,4-dien-1-yl-2-methylpropan-2-ol is sourced from PubChem (CID 12596377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).