(2,6,6-trimethylcyclohexa-2,4-dien-1-yl)methanol

C10H16O — CID 10012102

IUPAC(2,6,6-trimethylcyclohexa-2,4-dien-1-yl)methanol
SMILESCC1=CC=CC(C)(C)C1CO
InChIInChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-6,9,11H,7H2,1-3H3
InChIKeyDILGOJOOJUPYCG-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.14
Rot. Bonds1

About (2,6,6-trimethylcyclohexa-2,4-dien-1-yl)methanol

(2,6,6-trimethylcyclohexa-2,4-dien-1-yl)methanol (PubChem CID 10012102) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (2,6,6-trimethylcyclohexa-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(2,6,6-trimethylcyclohexa-2,4-dien-1-yl)methanol
PubChem CID10012102
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(2,6,6-trimethylcyclohexa-2,4-dien-1-yl)methanol
SMILESCC1=CC=CC(C)(C)C1CO
InChIInChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-6,9,11H,7H2,1-3H3
InChIKeyDILGOJOOJUPYCG-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,6,6-trimethylcyclohexa-2,4-dien-1-yl)methanol?
The IUPAC name of (2,6,6-trimethylcyclohexa-2,4-dien-1-yl)methanol (CID 10012102) is (2,6,6-trimethylcyclohexa-2,4-dien-1-yl)methanol.
What is the SMILES notation for (2,6,6-trimethylcyclohexa-2,4-dien-1-yl)methanol?
The canonical SMILES for (2,6,6-trimethylcyclohexa-2,4-dien-1-yl)methanol is CC1=CC=CC(C)(C)C1CO.
What is the InChIKey of (2,6,6-trimethylcyclohexa-2,4-dien-1-yl)methanol?
The InChIKey is DILGOJOOJUPYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-6,9,11H,7H2,1-3H3.
What are the key properties of (2,6,6-trimethylcyclohexa-2,4-dien-1-yl)methanol?
(2,6,6-trimethylcyclohexa-2,4-dien-1-yl)methanol has a molecular weight of 152.24 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6,6-trimethylcyclohexa-2,4-dien-1-yl)methanol is sourced from PubChem (CID 10012102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).