3,3-dimethyl-4-propa-1,2-dienylcyclohexen-1-ol

C11H16O — CID 129228946

IUPAC3,3-dimethyl-4-propa-1,2-dienylcyclohexen-1-ol
SMILESC=C=CC1CCC(O)=CC1(C)C
InChIInChI=1S/C11H16O/c1-4-5-9-6-7-10(12)8-11(9,2)3/h5,8-9,12H,1,6-7H2,2-3H3
InChIKeyQCARSGQWTVLXGH-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.21
Rot. Bonds1

About 3,3-dimethyl-4-propa-1,2-dienylcyclohexen-1-ol

3,3-dimethyl-4-propa-1,2-dienylcyclohexen-1-ol (PubChem CID 129228946) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 3,3-dimethyl-4-propa-1,2-dienylcyclohexen-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-propa-1,2-dienylcyclohexen-1-ol
PubChem CID129228946
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name3,3-dimethyl-4-propa-1,2-dienylcyclohexen-1-ol
SMILESC=C=CC1CCC(O)=CC1(C)C
InChIInChI=1S/C11H16O/c1-4-5-9-6-7-10(12)8-11(9,2)3/h5,8-9,12H,1,6-7H2,2-3H3
InChIKeyQCARSGQWTVLXGH-UHFFFAOYSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-propa-1,2-dienylcyclohexen-1-ol?
The IUPAC name of 3,3-dimethyl-4-propa-1,2-dienylcyclohexen-1-ol (CID 129228946) is 3,3-dimethyl-4-propa-1,2-dienylcyclohexen-1-ol.
What is the SMILES notation for 3,3-dimethyl-4-propa-1,2-dienylcyclohexen-1-ol?
The canonical SMILES for 3,3-dimethyl-4-propa-1,2-dienylcyclohexen-1-ol is C=C=CC1CCC(O)=CC1(C)C.
What is the InChIKey of 3,3-dimethyl-4-propa-1,2-dienylcyclohexen-1-ol?
The InChIKey is QCARSGQWTVLXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-4-5-9-6-7-10(12)8-11(9,2)3/h5,8-9,12H,1,6-7H2,2-3H3.
What are the key properties of 3,3-dimethyl-4-propa-1,2-dienylcyclohexen-1-ol?
3,3-dimethyl-4-propa-1,2-dienylcyclohexen-1-ol has a molecular weight of 164.25 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-propa-1,2-dienylcyclohexen-1-ol is sourced from PubChem (CID 129228946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).