4-ethenyl-3,5,5-trimethylcyclohex-3-en-1-ol

C11H18O — CID 91753281

IUPAC4-ethenyl-3,5,5-trimethylcyclohex-3-en-1-ol
SMILESC=CC1=C(C)CC(O)CC1(C)C
InChIInChI=1S/C11H18O/c1-5-10-8(2)6-9(12)7-11(10,3)4/h5,9,12H,1,6-7H2,2-4H3
InChIKeyJBNNEBXFMFDBSS-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.67
Rot. Bonds1

About 4-ethenyl-3,5,5-trimethylcyclohex-3-en-1-ol

4-ethenyl-3,5,5-trimethylcyclohex-3-en-1-ol (PubChem CID 91753281) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 4-ethenyl-3,5,5-trimethylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name4-ethenyl-3,5,5-trimethylcyclohex-3-en-1-ol
PubChem CID91753281
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name4-ethenyl-3,5,5-trimethylcyclohex-3-en-1-ol
SMILESC=CC1=C(C)CC(O)CC1(C)C
InChIInChI=1S/C11H18O/c1-5-10-8(2)6-9(12)7-11(10,3)4/h5,9,12H,1,6-7H2,2-4H3
InChIKeyJBNNEBXFMFDBSS-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3,5,5-trimethylcyclohex-3-en-1-ol?
The IUPAC name of 4-ethenyl-3,5,5-trimethylcyclohex-3-en-1-ol (CID 91753281) is 4-ethenyl-3,5,5-trimethylcyclohex-3-en-1-ol.
What is the SMILES notation for 4-ethenyl-3,5,5-trimethylcyclohex-3-en-1-ol?
The canonical SMILES for 4-ethenyl-3,5,5-trimethylcyclohex-3-en-1-ol is C=CC1=C(C)CC(O)CC1(C)C.
What is the InChIKey of 4-ethenyl-3,5,5-trimethylcyclohex-3-en-1-ol?
The InChIKey is JBNNEBXFMFDBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-5-10-8(2)6-9(12)7-11(10,3)4/h5,9,12H,1,6-7H2,2-4H3.
What are the key properties of 4-ethenyl-3,5,5-trimethylcyclohex-3-en-1-ol?
4-ethenyl-3,5,5-trimethylcyclohex-3-en-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3,5,5-trimethylcyclohex-3-en-1-ol is sourced from PubChem (CID 91753281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).