(3S)-3,7-dimethyloct-6-en-1-ol

C10H20O — CID 7793

IUPAC(3S)-3,7-dimethyloct-6-en-1-ol
SMILESCC(C)=CCC[C@H](C)CCO
InChIInChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m0/s1
InChIKeyQMVPMAAFGQKVCJ-JTQLQIEISA-N
MW156.27 g/mol
LogP2.75
Rot. Bonds5

About (3S)-3,7-dimethyloct-6-en-1-ol

(3S)-3,7-dimethyloct-6-en-1-ol (PubChem CID 7793) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (3S)-3,7-dimethyloct-6-en-1-ol.

Molecular Properties

Compound Name(3S)-3,7-dimethyloct-6-en-1-ol
PubChem CID7793
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(3S)-3,7-dimethyloct-6-en-1-ol
SMILESCC(C)=CCC[C@H](C)CCO
InChIInChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m0/s1
InChIKeyQMVPMAAFGQKVCJ-JTQLQIEISA-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 (3S)-3,7-dimethyloct-6-en-1-ol?
The IUPAC name of (3S)-3,7-dimethyloct-6-en-1-ol (CID 7793) is (3S)-3,7-dimethyloct-6-en-1-ol.
What is the SMILES notation for (3S)-3,7-dimethyloct-6-en-1-ol?
The canonical SMILES for (3S)-3,7-dimethyloct-6-en-1-ol is CC(C)=CCC[C@H](C)CCO.
What is the InChIKey of (3S)-3,7-dimethyloct-6-en-1-ol?
The InChIKey is QMVPMAAFGQKVCJ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m0/s1.
What are the key properties of (3S)-3,7-dimethyloct-6-en-1-ol?
(3S)-3,7-dimethyloct-6-en-1-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 (3S)-3,7-dimethyloct-6-en-1-ol is sourced from PubChem (CID 7793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).