6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-ol

C10H14O — CID 45082895

IUPAC6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-ol
SMILESC=C(C)C1C=C(O)C(C)=CC1
InChIInChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,6,9,11H,1,5H2,2-3H3
InChIKeyWDRDJEBCECSBAJ-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.97
Rot. Bonds1

About 6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-ol

6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-ol (PubChem CID 45082895) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-ol
PubChem CID45082895
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-ol
SMILESC=C(C)C1C=C(O)C(C)=CC1
InChIInChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,6,9,11H,1,5H2,2-3H3
InChIKeyWDRDJEBCECSBAJ-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.97
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 6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-ol (CID 45082895) is 6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-ol is C=C(C)C1C=C(O)C(C)=CC1.
What is the InChIKey of 6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-ol?
The InChIKey is WDRDJEBCECSBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,6,9,11H,1,5H2,2-3H3.
What are the key properties of 6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-ol?
6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-ol has a molecular weight of 150.22 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-prop-1-en-2-ylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 45082895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).