4,6-dimethyl-6-phosphanylcyclohexa-2,4-dien-1-ol

C8H13OP — CID 169096029

IUPAC4,6-dimethyl-6-phosphanylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(C)(P)C(O)C=C1
InChIInChI=1S/C8H13OP/c1-6-3-4-7(9)8(2,10)5-6/h3-5,7,9H,10H2,1-2H3
InChIKeyXOVQVYVHQHSYGM-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.50
Rot. Bonds

About 4,6-dimethyl-6-phosphanylcyclohexa-2,4-dien-1-ol

4,6-dimethyl-6-phosphanylcyclohexa-2,4-dien-1-ol (PubChem CID 169096029) has the molecular formula C8H13OP and a molecular weight of 156.16 g/mol. Its IUPAC name is 4,6-dimethyl-6-phosphanylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4,6-dimethyl-6-phosphanylcyclohexa-2,4-dien-1-ol
PubChem CID169096029
Molecular FormulaC8H13OP
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name4,6-dimethyl-6-phosphanylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(C)(P)C(O)C=C1
InChIInChI=1S/C8H13OP/c1-6-3-4-7(9)8(2,10)5-6/h3-5,7,9H,10H2,1-2H3
InChIKeyXOVQVYVHQHSYGM-UHFFFAOYSA-N
XLogP1.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-6-phosphanylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 4,6-dimethyl-6-phosphanylcyclohexa-2,4-dien-1-ol (CID 169096029) is 4,6-dimethyl-6-phosphanylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4,6-dimethyl-6-phosphanylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4,6-dimethyl-6-phosphanylcyclohexa-2,4-dien-1-ol is CC1=CC(C)(P)C(O)C=C1.
What is the InChIKey of 4,6-dimethyl-6-phosphanylcyclohexa-2,4-dien-1-ol?
The InChIKey is XOVQVYVHQHSYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13OP/c1-6-3-4-7(9)8(2,10)5-6/h3-5,7,9H,10H2,1-2H3.
What are the key properties of 4,6-dimethyl-6-phosphanylcyclohexa-2,4-dien-1-ol?
4,6-dimethyl-6-phosphanylcyclohexa-2,4-dien-1-ol has a molecular weight of 156.16 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-6-phosphanylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 169096029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).