1,1,3,3-tetramethoxypentane

C9H20O4 — CID 173421902

IUPAC1,1,3,3-tetramethoxypentane
SMILESCCC(CC(OC)OC)(OC)OC
InChIInChI=1S/C9H20O4/c1-6-9(12-4,13-5)7-8(10-2)11-3/h8H,6-7H2,1-5H3
InChIKeyBUHJSOWLHYTHMV-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.39
Rot. Bonds7

About 1,1,3,3-tetramethoxypentane

1,1,3,3-tetramethoxypentane (PubChem CID 173421902) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is 1,1,3,3-tetramethoxypentane.

Molecular Properties

Compound Name1,1,3,3-tetramethoxypentane
PubChem CID173421902
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name1,1,3,3-tetramethoxypentane
SMILESCCC(CC(OC)OC)(OC)OC
InChIInChI=1S/C9H20O4/c1-6-9(12-4,13-5)7-8(10-2)11-3/h8H,6-7H2,1-5H3
InChIKeyBUHJSOWLHYTHMV-UHFFFAOYSA-N
XLogP1.39
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2-hydroxy-1-methoxyethoxy)-2-methoxybutan-1-ol
CID 88564305
2,2-diethyl-4,4-dimethoxybutanal
CID 157035377
3,3-diethoxy-1,1-dimethoxybutane
CID 57235388
CID 57259107
CID 57259107
3,3-dimethoxynonane
CID 14785776
4,4-dimethoxy-2-N,2-dimethyl-2-N-(2-methylbutan-2-yl)butane-1,2-diamine
CID 66181011
N-(3-methoxybutan-2-yl)-3-methylpentan-3-amine
CID 115920365
4,4-diethoxy-5,5,7,7-tetramethoxyheptan-2-one
CID 57018325
4-ethyl-4-methoxy-2,6-dimethylheptane
CID 141423209
3-ethyl-3-methoxy-2-methylpentane
CID 23384914
triethyl(1-methoxyethyl)phosphanium
CID 23415371
2-amino-4,4-dimethoxy-2-methylbutanamide
CID 66180029

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethoxypentane?
The IUPAC name of 1,1,3,3-tetramethoxypentane (CID 173421902) is 1,1,3,3-tetramethoxypentane.
What is the SMILES notation for 1,1,3,3-tetramethoxypentane?
The canonical SMILES for 1,1,3,3-tetramethoxypentane is CCC(CC(OC)OC)(OC)OC.
What is the InChIKey of 1,1,3,3-tetramethoxypentane?
The InChIKey is BUHJSOWLHYTHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4/c1-6-9(12-4,13-5)7-8(10-2)11-3/h8H,6-7H2,1-5H3.
What are the key properties of 1,1,3,3-tetramethoxypentane?
1,1,3,3-tetramethoxypentane has a molecular weight of 192.25 g/mol, XLogP of 1.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethoxypentane is sourced from PubChem (CID 173421902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).