2-(4-methylcyclohexa-1,4-dien-1-yl)propan-2-ol

C10H16O — CID 15765519

IUPAC2-(4-methylcyclohexa-1,4-dien-1-yl)propan-2-ol
SMILESCC1=CCC(C(C)(C)O)=CC1
InChIInChI=1S/C10H16O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,7,11H,5-6H2,1-3H3
InChIKeyQLQGFLHGHUOHKJ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.42
Rot. Bonds1

About 2-(4-methylcyclohexa-1,4-dien-1-yl)propan-2-ol

2-(4-methylcyclohexa-1,4-dien-1-yl)propan-2-ol (PubChem CID 15765519) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(4-methylcyclohexa-1,4-dien-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-methylcyclohexa-1,4-dien-1-yl)propan-2-ol
PubChem CID15765519
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-(4-methylcyclohexa-1,4-dien-1-yl)propan-2-ol
SMILESCC1=CCC(C(C)(C)O)=CC1
InChIInChI=1S/C10H16O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,7,11H,5-6H2,1-3H3
InChIKeyQLQGFLHGHUOHKJ-UHFFFAOYSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexa-1,4-dien-1-yl)propan-2-ol?
The IUPAC name of 2-(4-methylcyclohexa-1,4-dien-1-yl)propan-2-ol (CID 15765519) is 2-(4-methylcyclohexa-1,4-dien-1-yl)propan-2-ol.
What is the SMILES notation for 2-(4-methylcyclohexa-1,4-dien-1-yl)propan-2-ol?
The canonical SMILES for 2-(4-methylcyclohexa-1,4-dien-1-yl)propan-2-ol is CC1=CCC(C(C)(C)O)=CC1.
What is the InChIKey of 2-(4-methylcyclohexa-1,4-dien-1-yl)propan-2-ol?
The InChIKey is QLQGFLHGHUOHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,7,11H,5-6H2,1-3H3.
What are the key properties of 2-(4-methylcyclohexa-1,4-dien-1-yl)propan-2-ol?
2-(4-methylcyclohexa-1,4-dien-1-yl)propan-2-ol has a molecular weight of 152.24 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexa-1,4-dien-1-yl)propan-2-ol is sourced from PubChem (CID 15765519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).