(3S)-3,7-dimethylocta-1,6-diene

C10H18 — CID 10887985

IUPAC(3S)-3,7-dimethylocta-1,6-diene
SMILESC=C[C@@H](C)CCC=C(C)C
InChIInChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7,10H,1,6,8H2,2-4H3/t10-/m1/s1
InChIKeyFUDNBFMOXDUIIE-SNVBAGLBSA-N
MW138.25 g/mol
LogP3.55
Rot. Bonds4

About (3S)-3,7-dimethylocta-1,6-diene

(3S)-3,7-dimethylocta-1,6-diene (PubChem CID 10887985) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (3S)-3,7-dimethylocta-1,6-diene.

Molecular Properties

Compound Name(3S)-3,7-dimethylocta-1,6-diene
PubChem CID10887985
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(3S)-3,7-dimethylocta-1,6-diene
SMILESC=C[C@@H](C)CCC=C(C)C
InChIInChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7,10H,1,6,8H2,2-4H3/t10-/m1/s1
InChIKeyFUDNBFMOXDUIIE-SNVBAGLBSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3S)-3,7-dimethylocta-1,6-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3,7-dimethylocta-1,6-diene?
The IUPAC name of (3S)-3,7-dimethylocta-1,6-diene (CID 10887985) is (3S)-3,7-dimethylocta-1,6-diene.
What is the SMILES notation for (3S)-3,7-dimethylocta-1,6-diene?
The canonical SMILES for (3S)-3,7-dimethylocta-1,6-diene is C=C[C@@H](C)CCC=C(C)C.
What is the InChIKey of (3S)-3,7-dimethylocta-1,6-diene?
The InChIKey is FUDNBFMOXDUIIE-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7,10H,1,6,8H2,2-4H3/t10-/m1/s1.
What are the key properties of (3S)-3,7-dimethylocta-1,6-diene?
(3S)-3,7-dimethylocta-1,6-diene has a molecular weight of 138.25 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,7-dimethylocta-1,6-diene is sourced from PubChem (CID 10887985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).