6-methoxyhexyl 2-methylpropanoate

C11H22O3 — CID 135199835

IUPAC6-methoxyhexyl 2-methylpropanoate
SMILESCOCCCCCCOC(=O)C(C)C
InChIInChI=1S/C11H22O3/c1-10(2)11(12)14-9-7-5-4-6-8-13-3/h10H,4-9H2,1-3H3
InChIKeyLMOKOBHKISTHGJ-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.39
Rot. Bonds8

About 6-methoxyhexyl 2-methylpropanoate

6-methoxyhexyl 2-methylpropanoate (PubChem CID 135199835) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 6-methoxyhexyl 2-methylpropanoate.

Molecular Properties

Compound Name6-methoxyhexyl 2-methylpropanoate
PubChem CID135199835
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name6-methoxyhexyl 2-methylpropanoate
SMILESCOCCCCCCOC(=O)C(C)C
InChIInChI=1S/C11H22O3/c1-10(2)11(12)14-9-7-5-4-6-8-13-3/h10H,4-9H2,1-3H3
InChIKeyLMOKOBHKISTHGJ-UHFFFAOYSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.39
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) 2,3-dimethylbutanedioate
CID 101278780
16-hydroxyhexadecyl 2-methylpropanoate
CID 134918438
8-aminooctyl 2-methylpropanoate
CID 88886116
12-hydroxydodecyl 2-methylpropanoate
CID 15120440
6-methoxyhexyl 8-methoxyoctyl carbonate
CID 131971124
6-trihydroxysilylhexyl 2-methylpropanoate
CID 102303066
3-aminopropyl 2-methylpropanoate
CID 59078098
bis(4-methoxybutyl) 3-methylpentanedioate
CID 101278770
3-methoxypropyl 2-sulfanylpropanoate
CID 107018238
oct-7-enyl 2-methylpropanoate
CID 87633860
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
butyl 2-methylpropanoate;2-methylpropane
CID 157176975

Frequently Asked Questions

What is the IUPAC name of 6-methoxyhexyl 2-methylpropanoate?
The IUPAC name of 6-methoxyhexyl 2-methylpropanoate (CID 135199835) is 6-methoxyhexyl 2-methylpropanoate.
What is the SMILES notation for 6-methoxyhexyl 2-methylpropanoate?
The canonical SMILES for 6-methoxyhexyl 2-methylpropanoate is COCCCCCCOC(=O)C(C)C.
What is the InChIKey of 6-methoxyhexyl 2-methylpropanoate?
The InChIKey is LMOKOBHKISTHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-10(2)11(12)14-9-7-5-4-6-8-13-3/h10H,4-9H2,1-3H3.
What are the key properties of 6-methoxyhexyl 2-methylpropanoate?
6-methoxyhexyl 2-methylpropanoate has a molecular weight of 202.29 g/mol, XLogP of 2.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyhexyl 2-methylpropanoate is sourced from PubChem (CID 135199835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).