(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanol

C10H16O — CID 55256020

IUPAC(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanol
SMILESCC1=C(CO)C(C)(C)CC=C1
InChIInChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,11H,6-7H2,1-3H3
InChIKeyJZGBWNUIQHQWAZ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.28
Rot. Bonds1

About (2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanol

(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanol (PubChem CID 55256020) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanol.

Molecular Properties

Compound Name(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanol
PubChem CID55256020
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanol
SMILESCC1=C(CO)C(C)(C)CC=C1
InChIInChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,11H,6-7H2,1-3H3
InChIKeyJZGBWNUIQHQWAZ-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
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-1,3-dien-1-yl)methanol?
The IUPAC name of (2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanol (CID 55256020) is (2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanol.
What is the SMILES notation for (2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanol?
The canonical SMILES for (2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanol is CC1=C(CO)C(C)(C)CC=C1.
What is the InChIKey of (2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanol?
The InChIKey is JZGBWNUIQHQWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,11H,6-7H2,1-3H3.
What are the key properties of (2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanol?
(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanol has a molecular weight of 152.24 g/mol, XLogP of 2.28, 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-1,3-dien-1-yl)methanol is sourced from PubChem (CID 55256020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).