3,6-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol

C11H18O — CID 163657907

IUPAC3,6-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol
SMILESCC1=CCC(C)(C(C)C)C(O)=C1
InChIInChI=1S/C11H18O/c1-8(2)11(4)6-5-9(3)7-10(11)12/h5,7-8,12H,6H2,1-4H3
InChIKeyIRVPCUDGDYTAIS-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.44
Rot. Bonds1

About 3,6-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol

3,6-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol (PubChem CID 163657907) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 3,6-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name3,6-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol
PubChem CID163657907
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name3,6-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol
SMILESCC1=CCC(C)(C(C)C)C(O)=C1
InChIInChI=1S/C11H18O/c1-8(2)11(4)6-5-9(3)7-10(11)12/h5,7-8,12H,6H2,1-4H3
InChIKeyIRVPCUDGDYTAIS-UHFFFAOYSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 3,6-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol (CID 163657907) is 3,6-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 3,6-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 3,6-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol is CC1=CCC(C)(C(C)C)C(O)=C1.
What is the InChIKey of 3,6-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol?
The InChIKey is IRVPCUDGDYTAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-8(2)11(4)6-5-9(3)7-10(11)12/h5,7-8,12H,6H2,1-4H3.
What are the key properties of 3,6-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol?
3,6-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol has a molecular weight of 166.26 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-6-propan-2-ylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 163657907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).