1-methoxy-3-methylpentane

C7H16O — CID 15706803

IUPAC1-methoxy-3-methylpentane
SMILESCCC(C)CCOC
InChIInChI=1S/C7H16O/c1-4-7(2)5-6-8-3/h7H,4-6H2,1-3H3
InChIKeyNRRLQGHHRCTIAS-UHFFFAOYSA-N
MW116.20 g/mol
LogP2.07
Rot. Bonds4

About 1-methoxy-3-methylpentane

1-methoxy-3-methylpentane (PubChem CID 15706803) has the molecular formula C7H16O and a molecular weight of 116.20 g/mol. Its IUPAC name is 1-methoxy-3-methylpentane.

Molecular Properties

Compound Name1-methoxy-3-methylpentane
PubChem CID15706803
Molecular FormulaC7H16O
Molecular Weight116.20 g/mol
Exact Mass116.12
IUPAC Name1-methoxy-3-methylpentane
SMILESCCC(C)CCOC
InChIInChI=1S/C7H16O/c1-4-7(2)5-6-8-3/h7H,4-6H2,1-3H3
InChIKeyNRRLQGHHRCTIAS-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.20
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methylpentane?
The IUPAC name of 1-methoxy-3-methylpentane (CID 15706803) is 1-methoxy-3-methylpentane.
What is the SMILES notation for 1-methoxy-3-methylpentane?
The canonical SMILES for 1-methoxy-3-methylpentane is CCC(C)CCOC.
What is the InChIKey of 1-methoxy-3-methylpentane?
The InChIKey is NRRLQGHHRCTIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O/c1-4-7(2)5-6-8-3/h7H,4-6H2,1-3H3.
What are the key properties of 1-methoxy-3-methylpentane?
1-methoxy-3-methylpentane has a molecular weight of 116.20 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methylpentane is sourced from PubChem (CID 15706803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).