3,8-dimethoxy-2,9-dimethyldecane

C14H30O2 — CID 58100189

IUPAC3,8-dimethoxy-2,9-dimethyldecane
SMILESCOC(CCCCC(OC)C(C)C)C(C)C
InChIInChI=1S/C14H30O2/c1-11(2)13(15-5)9-7-8-10-14(16-6)12(3)4/h11-14H,7-10H2,1-6H3
InChIKeyZZQLXJWIDFUVDW-UHFFFAOYSA-N
MW230.39 g/mol
LogP3.89
Rot. Bonds9

About 3,8-dimethoxy-2,9-dimethyldecane

3,8-dimethoxy-2,9-dimethyldecane (PubChem CID 58100189) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 3,8-dimethoxy-2,9-dimethyldecane.

Molecular Properties

Compound Name3,8-dimethoxy-2,9-dimethyldecane
PubChem CID58100189
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name3,8-dimethoxy-2,9-dimethyldecane
SMILESCOC(CCCCC(OC)C(C)C)C(C)C
InChIInChI=1S/C14H30O2/c1-11(2)13(15-5)9-7-8-10-14(16-6)12(3)4/h11-14H,7-10H2,1-6H3
InChIKeyZZQLXJWIDFUVDW-UHFFFAOYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethoxy-2,9-dimethyldecane?
The IUPAC name of 3,8-dimethoxy-2,9-dimethyldecane (CID 58100189) is 3,8-dimethoxy-2,9-dimethyldecane.
What is the SMILES notation for 3,8-dimethoxy-2,9-dimethyldecane?
The canonical SMILES for 3,8-dimethoxy-2,9-dimethyldecane is COC(CCCCC(OC)C(C)C)C(C)C.
What is the InChIKey of 3,8-dimethoxy-2,9-dimethyldecane?
The InChIKey is ZZQLXJWIDFUVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-11(2)13(15-5)9-7-8-10-14(16-6)12(3)4/h11-14H,7-10H2,1-6H3.
What are the key properties of 3,8-dimethoxy-2,9-dimethyldecane?
3,8-dimethoxy-2,9-dimethyldecane has a molecular weight of 230.39 g/mol, XLogP of 3.89, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethoxy-2,9-dimethyldecane is sourced from PubChem (CID 58100189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).