1,1-dimethoxy-2-methyloctane

C11H24O2 — CID 86049390

IUPAC1,1-dimethoxy-2-methyloctane
SMILESCCCCCCC(C)C(OC)OC
InChIInChI=1S/C11H24O2/c1-5-6-7-8-9-10(2)11(12-3)13-4/h10-11H,5-9H2,1-4H3
InChIKeyIPGUWFNFOUMLPS-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.21
Rot. Bonds8

About 1,1-dimethoxy-2-methyloctane

1,1-dimethoxy-2-methyloctane (PubChem CID 86049390) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1,1-dimethoxy-2-methyloctane.

Molecular Properties

Compound Name1,1-dimethoxy-2-methyloctane
PubChem CID86049390
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name1,1-dimethoxy-2-methyloctane
SMILESCCCCCCC(C)C(OC)OC
InChIInChI=1S/C11H24O2/c1-5-6-7-8-9-10(2)11(12-3)13-4/h10-11H,5-9H2,1-4H3
InChIKeyIPGUWFNFOUMLPS-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-dimethoxy-2-methyloctane?
The IUPAC name of 1,1-dimethoxy-2-methyloctane (CID 86049390) is 1,1-dimethoxy-2-methyloctane.
What is the SMILES notation for 1,1-dimethoxy-2-methyloctane?
The canonical SMILES for 1,1-dimethoxy-2-methyloctane is CCCCCCC(C)C(OC)OC.
What is the InChIKey of 1,1-dimethoxy-2-methyloctane?
The InChIKey is IPGUWFNFOUMLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-5-6-7-8-9-10(2)11(12-3)13-4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1,1-dimethoxy-2-methyloctane?
1,1-dimethoxy-2-methyloctane has a molecular weight of 188.31 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-2-methyloctane is sourced from PubChem (CID 86049390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).