6-methyl-1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol

C10H14O2 — CID 139816013

IUPAC6-methyl-1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol
SMILESCC1C=CC=CC1(O)CC1CO1
InChIInChI=1S/C10H14O2/c1-8-4-2-3-5-10(8,11)6-9-7-12-9/h2-5,8-9,11H,6-7H2,1H3
InChIKeyCATRVCKGYRPNOX-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.27
Rot. Bonds2

About 6-methyl-1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol

6-methyl-1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 139816013) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 6-methyl-1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-methyl-1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol
PubChem CID139816013
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name6-methyl-1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol
SMILESCC1C=CC=CC1(O)CC1CO1
InChIInChI=1S/C10H14O2/c1-8-4-2-3-5-10(8,11)6-9-7-12-9/h2-5,8-9,11H,6-7H2,1H3
InChIKeyCATRVCKGYRPNOX-UHFFFAOYSA-N
XLogP1.27
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-methyl-1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol (CID 139816013) is 6-methyl-1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-methyl-1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-methyl-1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol is CC1C=CC=CC1(O)CC1CO1.
What is the InChIKey of 6-methyl-1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is CATRVCKGYRPNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-8-4-2-3-5-10(8,11)6-9-7-12-9/h2-5,8-9,11H,6-7H2,1H3.
What are the key properties of 6-methyl-1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol?
6-methyl-1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 166.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(oxiran-2-ylmethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 139816013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).