(4S,5R)-4,5-dimethoxy-4,5-dimethylocta-1,7-diene

C12H22O2 — CID 11310134

IUPAC(4S,5R)-4,5-dimethoxy-4,5-dimethylocta-1,7-diene
SMILESC=CC[C@@](C)(OC)[C@](C)(CC=C)OC
InChIInChI=1S/C12H22O2/c1-7-9-11(3,13-5)12(4,14-6)10-8-2/h7-8H,1-2,9-10H2,3-6H3/t11-,12+
InChIKeyQIXYNCKWCWUYKK-TXEJJXNPSA-N
MW198.31 g/mol
LogP2.95
Rot. Bonds7

About (4S,5R)-4,5-dimethoxy-4,5-dimethylocta-1,7-diene

(4S,5R)-4,5-dimethoxy-4,5-dimethylocta-1,7-diene (PubChem CID 11310134) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (4S,5R)-4,5-dimethoxy-4,5-dimethylocta-1,7-diene.

Molecular Properties

Compound Name(4S,5R)-4,5-dimethoxy-4,5-dimethylocta-1,7-diene
PubChem CID11310134
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(4S,5R)-4,5-dimethoxy-4,5-dimethylocta-1,7-diene
SMILESC=CC[C@@](C)(OC)[C@](C)(CC=C)OC
InChIInChI=1S/C12H22O2/c1-7-9-11(3,13-5)12(4,14-6)10-8-2/h7-8H,1-2,9-10H2,3-6H3/t11-,12+
InChIKeyQIXYNCKWCWUYKK-TXEJJXNPSA-N
XLogP2.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S,5R)-4,5-dimethoxy-4,5-dimethylocta-1,7-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 (4S,5R)-4,5-dimethoxy-4,5-dimethylocta-1,7-diene?
The IUPAC name of (4S,5R)-4,5-dimethoxy-4,5-dimethylocta-1,7-diene (CID 11310134) is (4S,5R)-4,5-dimethoxy-4,5-dimethylocta-1,7-diene.
What is the SMILES notation for (4S,5R)-4,5-dimethoxy-4,5-dimethylocta-1,7-diene?
The canonical SMILES for (4S,5R)-4,5-dimethoxy-4,5-dimethylocta-1,7-diene is C=CC[C@@](C)(OC)[C@](C)(CC=C)OC.
What is the InChIKey of (4S,5R)-4,5-dimethoxy-4,5-dimethylocta-1,7-diene?
The InChIKey is QIXYNCKWCWUYKK-TXEJJXNPSA-N. The full InChI is InChI=1S/C12H22O2/c1-7-9-11(3,13-5)12(4,14-6)10-8-2/h7-8H,1-2,9-10H2,3-6H3/t11-,12+.
What are the key properties of (4S,5R)-4,5-dimethoxy-4,5-dimethylocta-1,7-diene?
(4S,5R)-4,5-dimethoxy-4,5-dimethylocta-1,7-diene has a molecular weight of 198.31 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4,5-dimethoxy-4,5-dimethylocta-1,7-diene is sourced from PubChem (CID 11310134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).