3,7-dimethyloct-7-en-2-ol

C10H20O — CID 15559111

IUPAC3,7-dimethyloct-7-en-2-ol
SMILESC=C(C)CCCC(C)C(C)O
InChIInChI=1S/C10H20O/c1-8(2)6-5-7-9(3)10(4)11/h9-11H,1,5-7H2,2-4H3
InChIKeyKGQSEQSAQDIYLW-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.75
Rot. Bonds5

About 3,7-dimethyloct-7-en-2-ol

3,7-dimethyloct-7-en-2-ol (PubChem CID 15559111) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 3,7-dimethyloct-7-en-2-ol.

Molecular Properties

Compound Name3,7-dimethyloct-7-en-2-ol
PubChem CID15559111
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name3,7-dimethyloct-7-en-2-ol
SMILESC=C(C)CCCC(C)C(C)O
InChIInChI=1S/C10H20O/c1-8(2)6-5-7-9(3)10(4)11/h9-11H,1,5-7H2,2-4H3
InChIKeyKGQSEQSAQDIYLW-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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 3,7-dimethyloct-7-en-2-ol?
The IUPAC name of 3,7-dimethyloct-7-en-2-ol (CID 15559111) is 3,7-dimethyloct-7-en-2-ol.
What is the SMILES notation for 3,7-dimethyloct-7-en-2-ol?
The canonical SMILES for 3,7-dimethyloct-7-en-2-ol is C=C(C)CCCC(C)C(C)O.
What is the InChIKey of 3,7-dimethyloct-7-en-2-ol?
The InChIKey is KGQSEQSAQDIYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-8(2)6-5-7-9(3)10(4)11/h9-11H,1,5-7H2,2-4H3.
What are the key properties of 3,7-dimethyloct-7-en-2-ol?
3,7-dimethyloct-7-en-2-ol has a molecular weight of 156.27 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyloct-7-en-2-ol is sourced from PubChem (CID 15559111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).