3,3,6-trimethylhept-5-en-1-ol

C10H20O — CID 20504089

IUPAC3,3,6-trimethylhept-5-en-1-ol
SMILESCC(C)=CCC(C)(C)CCO
InChIInChI=1S/C10H20O/c1-9(2)5-6-10(3,4)7-8-11/h5,11H,6-8H2,1-4H3
InChIKeyNEOKGLHRALIDLS-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.75
Rot. Bonds4

About 3,3,6-trimethylhept-5-en-1-ol

3,3,6-trimethylhept-5-en-1-ol (PubChem CID 20504089) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 3,3,6-trimethylhept-5-en-1-ol.

Molecular Properties

Compound Name3,3,6-trimethylhept-5-en-1-ol
PubChem CID20504089
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name3,3,6-trimethylhept-5-en-1-ol
SMILESCC(C)=CCC(C)(C)CCO
InChIInChI=1S/C10H20O/c1-9(2)5-6-10(3,4)7-8-11/h5,11H,6-8H2,1-4H3
InChIKeyNEOKGLHRALIDLS-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.75
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 3,3,6-trimethylhept-5-en-1-ol?
The IUPAC name of 3,3,6-trimethylhept-5-en-1-ol (CID 20504089) is 3,3,6-trimethylhept-5-en-1-ol.
What is the SMILES notation for 3,3,6-trimethylhept-5-en-1-ol?
The canonical SMILES for 3,3,6-trimethylhept-5-en-1-ol is CC(C)=CCC(C)(C)CCO.
What is the InChIKey of 3,3,6-trimethylhept-5-en-1-ol?
The InChIKey is NEOKGLHRALIDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-9(2)5-6-10(3,4)7-8-11/h5,11H,6-8H2,1-4H3.
What are the key properties of 3,3,6-trimethylhept-5-en-1-ol?
3,3,6-trimethylhept-5-en-1-ol has a molecular weight of 156.27 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6-trimethylhept-5-en-1-ol is sourced from PubChem (CID 20504089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).