1,2-dimethoxypentane

C7H16O2 — CID 22961171

IUPAC1,2-dimethoxypentane
SMILESCCCC(COC)OC
InChIInChI=1S/C7H16O2/c1-4-5-7(9-3)6-8-2/h7H,4-6H2,1-3H3
InChIKeyPBYLPWDMSGOPAB-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.45
Rot. Bonds5

About 1,2-dimethoxypentane

1,2-dimethoxypentane (PubChem CID 22961171) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is 1,2-dimethoxypentane.

Molecular Properties

Compound Name1,2-dimethoxypentane
PubChem CID22961171
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name1,2-dimethoxypentane
SMILESCCCC(COC)OC
InChIInChI=1S/C7H16O2/c1-4-5-7(9-3)6-8-2/h7H,4-6H2,1-3H3
InChIKeyPBYLPWDMSGOPAB-UHFFFAOYSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,5,6-tetramethoxyhexane
CID 18679814
1,2-dimethoxy-5,5-dimethylhexane
CID 154608131
(4R)-4-methoxy-N-(2-methoxyethyl)heptan-1-amine
CID 97035365
(3S)-4-hexadecoxy-3-methoxybutan-1-ol
CID 11393808
5,6-dimethoxyhexan-2-one
CID 89027763
(3S)-1-[(2R)-butan-2-yl]oxy-3-methoxyhexane
CID 89015746
(2S)-2,3-dimethoxypropane-1-thiol
CID 6540412
(4S)-1-chloro-4-methoxyheptane
CID 97035520
1-chloro-4-methoxyheptane
CID 102547593
5-methoxy-2,3-dimethyloct-2-en-1-ol
CID 91291967
1,2-dimethoxy-4-methylhexane
CID 123627097
1,2-dimethoxybutane;1,2-dimethoxypropane
CID 91039470

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxypentane?
The IUPAC name of 1,2-dimethoxypentane (CID 22961171) is 1,2-dimethoxypentane.
What is the SMILES notation for 1,2-dimethoxypentane?
The canonical SMILES for 1,2-dimethoxypentane is CCCC(COC)OC.
What is the InChIKey of 1,2-dimethoxypentane?
The InChIKey is PBYLPWDMSGOPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2/c1-4-5-7(9-3)6-8-2/h7H,4-6H2,1-3H3.
What are the key properties of 1,2-dimethoxypentane?
1,2-dimethoxypentane has a molecular weight of 132.20 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxypentane is sourced from PubChem (CID 22961171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).