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

C9H14O — CID 123660700

IUPAC2-propan-2-ylcyclohexa-2,4-dien-1-ol
SMILESCC(C)C1=CC=CCC1O
InChIInChI=1S/C9H14O/c1-7(2)8-5-3-4-6-9(8)10/h3-5,7,9-10H,6H2,1-2H3
InChIKeyMTLPJNFKQVCXPK-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.89
Rot. Bonds1

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

2-propan-2-ylcyclohexa-2,4-dien-1-ol (PubChem CID 123660700) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-propan-2-ylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2-propan-2-ylcyclohexa-2,4-dien-1-ol
PubChem CID123660700
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-propan-2-ylcyclohexa-2,4-dien-1-ol
SMILESCC(C)C1=CC=CCC1O
InChIInChI=1S/C9H14O/c1-7(2)8-5-3-4-6-9(8)10/h3-5,7,9-10H,6H2,1-2H3
InChIKeyMTLPJNFKQVCXPK-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 2-propan-2-ylcyclohexa-2,4-dien-1-ol (CID 123660700) is 2-propan-2-ylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2-propan-2-ylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2-propan-2-ylcyclohexa-2,4-dien-1-ol is CC(C)C1=CC=CCC1O.
What is the InChIKey of 2-propan-2-ylcyclohexa-2,4-dien-1-ol?
The InChIKey is MTLPJNFKQVCXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-7(2)8-5-3-4-6-9(8)10/h3-5,7,9-10H,6H2,1-2H3.
What are the key properties of 2-propan-2-ylcyclohexa-2,4-dien-1-ol?
2-propan-2-ylcyclohexa-2,4-dien-1-ol has a molecular weight of 138.21 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 123660700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).