(4S,8S)-1,1-dimethoxy-4,8-dimethyldecane

C14H30O2 — CID 10955388

IUPAC(4S,8S)-1,1-dimethoxy-4,8-dimethyldecane
SMILESCC[C@H](C)CCC[C@H](C)CCC(OC)OC
InChIInChI=1S/C14H30O2/c1-6-12(2)8-7-9-13(3)10-11-14(15-4)16-5/h12-14H,6-11H2,1-5H3/t12-,13-/m0/s1
InChIKeyKMLXVJNZWSTLHY-STQMWFEESA-N
MW230.39 g/mol
LogP4.24
Rot. Bonds10

About (4S,8S)-1,1-dimethoxy-4,8-dimethyldecane

(4S,8S)-1,1-dimethoxy-4,8-dimethyldecane (PubChem CID 10955388) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is (4S,8S)-1,1-dimethoxy-4,8-dimethyldecane.

Molecular Properties

Compound Name(4S,8S)-1,1-dimethoxy-4,8-dimethyldecane
PubChem CID10955388
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name(4S,8S)-1,1-dimethoxy-4,8-dimethyldecane
SMILESCC[C@H](C)CCC[C@H](C)CCC(OC)OC
InChIInChI=1S/C14H30O2/c1-6-12(2)8-7-9-13(3)10-11-14(15-4)16-5/h12-14H,6-11H2,1-5H3/t12-,13-/m0/s1
InChIKeyKMLXVJNZWSTLHY-STQMWFEESA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (4S,8S)-1,1-dimethoxy-4,8-dimethyldecane 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,8S)-1,1-dimethoxy-4,8-dimethyldecane?
The IUPAC name of (4S,8S)-1,1-dimethoxy-4,8-dimethyldecane (CID 10955388) is (4S,8S)-1,1-dimethoxy-4,8-dimethyldecane.
What is the SMILES notation for (4S,8S)-1,1-dimethoxy-4,8-dimethyldecane?
The canonical SMILES for (4S,8S)-1,1-dimethoxy-4,8-dimethyldecane is CC[C@H](C)CCC[C@H](C)CCC(OC)OC.
What is the InChIKey of (4S,8S)-1,1-dimethoxy-4,8-dimethyldecane?
The InChIKey is KMLXVJNZWSTLHY-STQMWFEESA-N. The full InChI is InChI=1S/C14H30O2/c1-6-12(2)8-7-9-13(3)10-11-14(15-4)16-5/h12-14H,6-11H2,1-5H3/t12-,13-/m0/s1.
What are the key properties of (4S,8S)-1,1-dimethoxy-4,8-dimethyldecane?
(4S,8S)-1,1-dimethoxy-4,8-dimethyldecane has a molecular weight of 230.39 g/mol, XLogP of 4.24, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,8S)-1,1-dimethoxy-4,8-dimethyldecane is sourced from PubChem (CID 10955388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).