1,1,1-trimethoxy-7,7,8-trimethylnonane

C15H32O3 — CID 54014170

IUPAC1,1,1-trimethoxy-7,7,8-trimethylnonane
SMILESCOC(CCCCCC(C)(C)C(C)C)(OC)OC
InChIInChI=1S/C15H32O3/c1-13(2)14(3,4)11-9-8-10-12-15(16-5,17-6)18-7/h13H,8-12H2,1-7H3
InChIKeyIGGJEFNOUDVVAE-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.21
Rot. Bonds10

About 1,1,1-trimethoxy-7,7,8-trimethylnonane

1,1,1-trimethoxy-7,7,8-trimethylnonane (PubChem CID 54014170) has the molecular formula C15H32O3 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1,1,1-trimethoxy-7,7,8-trimethylnonane.

Molecular Properties

Compound Name1,1,1-trimethoxy-7,7,8-trimethylnonane
PubChem CID54014170
Molecular FormulaC15H32O3
Molecular Weight260.42 g/mol
Exact Mass260.24
IUPAC Name1,1,1-trimethoxy-7,7,8-trimethylnonane
SMILESCOC(CCCCCC(C)(C)C(C)C)(OC)OC
InChIInChI=1S/C15H32O3/c1-13(2)14(3,4)11-9-8-10-12-15(16-5,17-6)18-7/h13H,8-12H2,1-7H3
InChIKeyIGGJEFNOUDVVAE-UHFFFAOYSA-N
XLogP4.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trimethoxy-7,7,8-trimethylnonane?
The IUPAC name of 1,1,1-trimethoxy-7,7,8-trimethylnonane (CID 54014170) is 1,1,1-trimethoxy-7,7,8-trimethylnonane.
What is the SMILES notation for 1,1,1-trimethoxy-7,7,8-trimethylnonane?
The canonical SMILES for 1,1,1-trimethoxy-7,7,8-trimethylnonane is COC(CCCCCC(C)(C)C(C)C)(OC)OC.
What is the InChIKey of 1,1,1-trimethoxy-7,7,8-trimethylnonane?
The InChIKey is IGGJEFNOUDVVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3/c1-13(2)14(3,4)11-9-8-10-12-15(16-5,17-6)18-7/h13H,8-12H2,1-7H3.
What are the key properties of 1,1,1-trimethoxy-7,7,8-trimethylnonane?
1,1,1-trimethoxy-7,7,8-trimethylnonane has a molecular weight of 260.42 g/mol, XLogP of 4.21, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trimethoxy-7,7,8-trimethylnonane is sourced from PubChem (CID 54014170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).