1-methoxy-2-methylpentane

C7H16O — CID 19906894

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

About 1-methoxy-2-methylpentane

1-methoxy-2-methylpentane (PubChem CID 19906894) has the molecular formula C7H16O and a molecular weight of 116.20 g/mol. Its IUPAC name is 1-methoxy-2-methylpentane.

Molecular Properties

Compound Name1-methoxy-2-methylpentane
PubChem CID19906894
Molecular FormulaC7H16O
Molecular Weight116.20 g/mol
Exact Mass116.12
IUPAC Name1-methoxy-2-methylpentane
SMILESCCCC(C)COC
InChIInChI=1S/C7H16O/c1-4-5-7(2)6-8-3/h7H,4-6H2,1-3H3
InChIKeyRIUOOLJJUPJFSW-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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Related Compounds

2-Methoxy-4-methylpentane
CID 17820196
Iso-pentoxypentane
CID 20082127
2-Ethyl-1-butanol, methyl ether
CID 10866310
1-Methoxy-2-methylhexane
CID 14868104
1-(2-Methylbut-oxy)-pentane
CID 54075160
1-(2-Fluoroethoxy)-4-methylpentane
CID 87069267
1-(Fluoromethoxy)-4-methylpentane
CID 123476187
2-Fluoro-1-methoxy-4-methylpentane
CID 139481282
2-Fluoro-1-methoxy-2,4-dimethylpentane
CID 148337421
(2S)-2-fluoro-1-methoxy-4-methylpentane
CID 167009743
1-Ethoxy-2-fluoro-4-methylpentane
CID 177039479
Hexane, 1-(hexyloxy)-2-methyl-
CID 538287

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methylpentane?
The IUPAC name of 1-methoxy-2-methylpentane (CID 19906894) is 1-methoxy-2-methylpentane.
What is the SMILES notation for 1-methoxy-2-methylpentane?
The canonical SMILES for 1-methoxy-2-methylpentane is CCCC(C)COC.
What is the InChIKey of 1-methoxy-2-methylpentane?
The InChIKey is RIUOOLJJUPJFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O/c1-4-5-7(2)6-8-3/h7H,4-6H2,1-3H3.
What are the key properties of 1-methoxy-2-methylpentane?
1-methoxy-2-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-2-methylpentane is sourced from PubChem (CID 19906894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).