6-propan-2-ylcyclohexa-2,4-dien-1-ol

C9H14O — CID 130420858

IUPAC6-propan-2-ylcyclohexa-2,4-dien-1-ol
SMILESCC(C)C1C=CC=CC1O
InChIInChI=1S/C9H14O/c1-7(2)8-5-3-4-6-9(8)10/h3-10H,1-2H3
InChIKeyLOQKJFHIRMHZLY-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.75
Rot. Bonds1

About 6-propan-2-ylcyclohexa-2,4-dien-1-ol

6-propan-2-ylcyclohexa-2,4-dien-1-ol (PubChem CID 130420858) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 6-propan-2-ylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-propan-2-ylcyclohexa-2,4-dien-1-ol
PubChem CID130420858
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name6-propan-2-ylcyclohexa-2,4-dien-1-ol
SMILESCC(C)C1C=CC=CC1O
InChIInChI=1S/C9H14O/c1-7(2)8-5-3-4-6-9(8)10/h3-10H,1-2H3
InChIKeyLOQKJFHIRMHZLY-UHFFFAOYSA-N
XLogP1.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-propan-2-ylcyclohexa-2,4-dien-1-ol (CID 130420858) is 6-propan-2-ylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-propan-2-ylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-propan-2-ylcyclohexa-2,4-dien-1-ol is CC(C)C1C=CC=CC1O.
What is the InChIKey of 6-propan-2-ylcyclohexa-2,4-dien-1-ol?
The InChIKey is LOQKJFHIRMHZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-7(2)8-5-3-4-6-9(8)10/h3-10H,1-2H3.
What are the key properties of 6-propan-2-ylcyclohexa-2,4-dien-1-ol?
6-propan-2-ylcyclohexa-2,4-dien-1-ol has a molecular weight of 138.21 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 130420858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).