6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol

C11H18O — CID 23192488

IUPAC6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol
SMILESCCCC1=CC=C(O)C(C)(C)C1
InChIInChI=1S/C11H18O/c1-4-5-9-6-7-10(12)11(2,3)8-9/h6-7,12H,4-5,8H2,1-3H3
InChIKeyRCKGYZPTQWYKAK-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.58
Rot. Bonds2

About 6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol

6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol (PubChem CID 23192488) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol
PubChem CID23192488
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol
SMILESCCCC1=CC=C(O)C(C)(C)C1
InChIInChI=1S/C11H18O/c1-4-5-9-6-7-10(12)11(2,3)8-9/h6-7,12H,4-5,8H2,1-3H3
InChIKeyRCKGYZPTQWYKAK-UHFFFAOYSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-2,8-Menthadien-2-ol
CID 69528770
2,6-Di-t-butyl,4-methylcresol
CID 67047598
4-(2-Methylpropyl)cyclohexa-1,3-dien-1-ol
CID 19350672
4-Tert-butylcyclohexa-1,3-dien-1-ol
CID 20038819
4-Butan-2-ylcyclohexa-1,3-dien-1-ol
CID 117705152
4-Propan-2-ylcyclohepta-1,3-dien-1-ol
CID 141013615
4-(2-Methylprop-2-enyl)cyclohexen-1-ol
CID 141807403
5-Butylcyclohexa-1,3-dien-1-ol
CID 142071343
5-Methyl-4-propylcyclohexa-1,3-dien-1-ol
CID 156164552
2-t-Butylcyclo-hex-1-en-1-ol
CID 71405839
4-(Cyclohexen-1-yl)-2-methylbutan-2-ol
CID 101379460
2,6-Di-tert-octylcresol
CID 129678288

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol (CID 23192488) is 6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol is CCCC1=CC=C(O)C(C)(C)C1.
What is the InChIKey of 6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol?
The InChIKey is RCKGYZPTQWYKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-4-5-9-6-7-10(12)11(2,3)8-9/h6-7,12H,4-5,8H2,1-3H3.
What are the key properties of 6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol?
6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol has a molecular weight of 166.26 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-4-propylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 23192488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).