1-cyclohexa-1,5-dien-1-yl-4-methylcyclohexan-1-ol

C13H20O — CID 143189862

IUPAC1-cyclohexa-1,5-dien-1-yl-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(C2=CCCC=C2)CC1
InChIInChI=1S/C13H20O/c1-11-7-9-13(14,10-8-11)12-5-3-2-4-6-12/h3,5-6,11,14H,2,4,7-10H2,1H3
InChIKeyNUPFQVJZSINGTD-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.20
Rot. Bonds1

About 1-cyclohexa-1,5-dien-1-yl-4-methylcyclohexan-1-ol

1-cyclohexa-1,5-dien-1-yl-4-methylcyclohexan-1-ol (PubChem CID 143189862) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-4-methylcyclohexan-1-ol
PubChem CID143189862
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-cyclohexa-1,5-dien-1-yl-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(C2=CCCC=C2)CC1
InChIInChI=1S/C13H20O/c1-11-7-9-13(14,10-8-11)12-5-3-2-4-6-12/h3,5-6,11,14H,2,4,7-10H2,1H3
InChIKeyNUPFQVJZSINGTD-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-4-methylcyclohexan-1-ol?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-4-methylcyclohexan-1-ol (CID 143189862) is 1-cyclohexa-1,5-dien-1-yl-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-4-methylcyclohexan-1-ol is CC1CCC(O)(C2=CCCC=C2)CC1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-4-methylcyclohexan-1-ol?
The InChIKey is NUPFQVJZSINGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-11-7-9-13(14,10-8-11)12-5-3-2-4-6-12/h3,5-6,11,14H,2,4,7-10H2,1H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-4-methylcyclohexan-1-ol?
1-cyclohexa-1,5-dien-1-yl-4-methylcyclohexan-1-ol has a molecular weight of 192.30 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-4-methylcyclohexan-1-ol is sourced from PubChem (CID 143189862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).