3-ethenyl-3,6-dimethylhept-5-en-2-ol

C11H20O — CID 3020401

IUPAC3-ethenyl-3,6-dimethylhept-5-en-2-ol
SMILESC=CC(C)(CC=C(C)C)C(C)O
InChIInChI=1S/C11H20O/c1-6-11(5,10(4)12)8-7-9(2)3/h6-7,10,12H,1,8H2,2-5H3
InChIKeyVLWIAHOZUQCLJS-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.92
Rot. Bonds4

About 3-ethenyl-3,6-dimethylhept-5-en-2-ol

3-ethenyl-3,6-dimethylhept-5-en-2-ol (PubChem CID 3020401) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-ethenyl-3,6-dimethylhept-5-en-2-ol.

Molecular Properties

Compound Name3-ethenyl-3,6-dimethylhept-5-en-2-ol
PubChem CID3020401
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-ethenyl-3,6-dimethylhept-5-en-2-ol
SMILESC=CC(C)(CC=C(C)C)C(C)O
InChIInChI=1S/C11H20O/c1-6-11(5,10(4)12)8-7-9(2)3/h6-7,10,12H,1,8H2,2-5H3
InChIKeyVLWIAHOZUQCLJS-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-3,6-dimethylhept-5-en-2-ol?
The IUPAC name of 3-ethenyl-3,6-dimethylhept-5-en-2-ol (CID 3020401) is 3-ethenyl-3,6-dimethylhept-5-en-2-ol.
What is the SMILES notation for 3-ethenyl-3,6-dimethylhept-5-en-2-ol?
The canonical SMILES for 3-ethenyl-3,6-dimethylhept-5-en-2-ol is C=CC(C)(CC=C(C)C)C(C)O.
What is the InChIKey of 3-ethenyl-3,6-dimethylhept-5-en-2-ol?
The InChIKey is VLWIAHOZUQCLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-6-11(5,10(4)12)8-7-9(2)3/h6-7,10,12H,1,8H2,2-5H3.
What are the key properties of 3-ethenyl-3,6-dimethylhept-5-en-2-ol?
3-ethenyl-3,6-dimethylhept-5-en-2-ol has a molecular weight of 168.28 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3,6-dimethylhept-5-en-2-ol is sourced from PubChem (CID 3020401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).