3,3-dimethoxy-2-methylpentane

C8H18O2 — CID 12538065

IUPAC3,3-dimethoxy-2-methylpentane
SMILESCCC(OC)(OC)C(C)C
InChIInChI=1S/C8H18O2/c1-6-8(9-4,10-5)7(2)3/h7H,6H2,1-5H3
InChIKeyRVHACGAJTCIOKL-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.04
Rot. Bonds4

About 3,3-dimethoxy-2-methylpentane

3,3-dimethoxy-2-methylpentane (PubChem CID 12538065) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 3,3-dimethoxy-2-methylpentane.

Molecular Properties

Compound Name3,3-dimethoxy-2-methylpentane
PubChem CID12538065
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name3,3-dimethoxy-2-methylpentane
SMILESCCC(OC)(OC)C(C)C
InChIInChI=1S/C8H18O2/c1-6-8(9-4,10-5)7(2)3/h7H,6H2,1-5H3
InChIKeyRVHACGAJTCIOKL-UHFFFAOYSA-N
XLogP2.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxy-2-methylpentane?
The IUPAC name of 3,3-dimethoxy-2-methylpentane (CID 12538065) is 3,3-dimethoxy-2-methylpentane.
What is the SMILES notation for 3,3-dimethoxy-2-methylpentane?
The canonical SMILES for 3,3-dimethoxy-2-methylpentane is CCC(OC)(OC)C(C)C.
What is the InChIKey of 3,3-dimethoxy-2-methylpentane?
The InChIKey is RVHACGAJTCIOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-6-8(9-4,10-5)7(2)3/h7H,6H2,1-5H3.
What are the key properties of 3,3-dimethoxy-2-methylpentane?
3,3-dimethoxy-2-methylpentane has a molecular weight of 146.23 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxy-2-methylpentane is sourced from PubChem (CID 12538065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).