3-methoxypropyl 3-methylpentanoate

C10H20O3 — CID 87360755

IUPAC3-methoxypropyl 3-methylpentanoate
SMILESCCC(C)CC(=O)OCCCOC
InChIInChI=1S/C10H20O3/c1-4-9(2)8-10(11)13-7-5-6-12-3/h9H,4-8H2,1-3H3
InChIKeyNEPLOYRBSFYDLX-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.00
Rot. Bonds7

About 3-methoxypropyl 3-methylpentanoate

3-methoxypropyl 3-methylpentanoate (PubChem CID 87360755) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-methoxypropyl 3-methylpentanoate.

Molecular Properties

Compound Name3-methoxypropyl 3-methylpentanoate
PubChem CID87360755
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name3-methoxypropyl 3-methylpentanoate
SMILESCCC(C)CC(=O)OCCCOC
InChIInChI=1S/C10H20O3/c1-4-9(2)8-10(11)13-7-5-6-12-3/h9H,4-8H2,1-3H3
InChIKeyNEPLOYRBSFYDLX-UHFFFAOYSA-N
XLogP2.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

bis(4-methoxybutyl) 3-methylpentanedioate
CID 101278770
ethyl (3R)-3-methylpentanoate
CID 7567160
bis(4-methoxybutyl) 2-hydroxybutanedioate
CID 139707067
1-O-butyl 5-O-(2-methylpropyl) 3-methylpentanedioate
CID 139971649
3-methoxypropyl 2-(propan-2-ylamino)acetate
CID 61277386
3-methoxypropyl 2-sulfanylpropanoate
CID 107018238
2-methoxyethyl 3,5,5-trimethylhexanoate
CID 91693891
5-[3-[butyl(methyl)amino]propoxy]pentyl 3-methylpentanoate
CID 143222357
bis(4-methoxybutyl) 2,3-dimethylbutanedioate
CID 101278780
1-O-[3-[(2R,3R)-4-[3-[(2R,3R)-2,3-dihydroxy-4-(3-methoxypropoxy)-4-oxobutanoyl]oxypropoxy]-2,3-dihydroxy-4-oxobutanoyl]oxypropyl] 4-O-(3-methoxypropyl) (2R,3R)-2,3-dihydroxybutanedioate
CID 101011423
3-methoxypropyl 3-oxopropanoate
CID 144975882
butyl 3-methyldodecanoate
CID 88963101

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropyl 3-methylpentanoate?
The IUPAC name of 3-methoxypropyl 3-methylpentanoate (CID 87360755) is 3-methoxypropyl 3-methylpentanoate.
What is the SMILES notation for 3-methoxypropyl 3-methylpentanoate?
The canonical SMILES for 3-methoxypropyl 3-methylpentanoate is CCC(C)CC(=O)OCCCOC.
What is the InChIKey of 3-methoxypropyl 3-methylpentanoate?
The InChIKey is NEPLOYRBSFYDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-9(2)8-10(11)13-7-5-6-12-3/h9H,4-8H2,1-3H3.
What are the key properties of 3-methoxypropyl 3-methylpentanoate?
3-methoxypropyl 3-methylpentanoate has a molecular weight of 188.27 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl 3-methylpentanoate is sourced from PubChem (CID 87360755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).