6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-ol

C13H22O — CID 70389744

IUPAC6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-ol
SMILESCC(C)C1=C(O)C(C)(C(C)C)CC=C1
InChIInChI=1S/C13H22O/c1-9(2)11-7-6-8-13(5,10(3)4)12(11)14/h6-7,9-10,14H,8H2,1-5H3
InChIKeyALEYSQGNUSFPKV-UHFFFAOYSA-N
MW194.32 g/mol
LogP4.08
Rot. Bonds2

About 6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-ol

6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-ol (PubChem CID 70389744) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-ol
PubChem CID70389744
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-ol
SMILESCC(C)C1=C(O)C(C)(C(C)C)CC=C1
InChIInChI=1S/C13H22O/c1-9(2)11-7-6-8-13(5,10(3)4)12(11)14/h6-7,9-10,14H,8H2,1-5H3
InChIKeyALEYSQGNUSFPKV-UHFFFAOYSA-N
XLogP4.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-ol (CID 70389744) is 6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-ol is CC(C)C1=C(O)C(C)(C(C)C)CC=C1.
What is the InChIKey of 6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-ol?
The InChIKey is ALEYSQGNUSFPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-9(2)11-7-6-8-13(5,10(3)4)12(11)14/h6-7,9-10,14H,8H2,1-5H3.
What are the key properties of 6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-ol?
6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-ol has a molecular weight of 194.32 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 70389744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).