3-methoxyhexan-3-yl prop-2-enoate

C10H18O3 — CID 118937172

IUPAC3-methoxyhexan-3-yl prop-2-enoate
SMILESC=CC(=O)OC(CC)(CCC)OC
InChIInChI=1S/C10H18O3/c1-5-8-10(7-3,12-4)13-9(11)6-2/h6H,2,5,7-8H2,1,3-4H3
InChIKeyTWEQOIGKSIVLRW-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.27
Rot. Bonds6

About 3-methoxyhexan-3-yl prop-2-enoate

3-methoxyhexan-3-yl prop-2-enoate (PubChem CID 118937172) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-methoxyhexan-3-yl prop-2-enoate.

Molecular Properties

Compound Name3-methoxyhexan-3-yl prop-2-enoate
PubChem CID118937172
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name3-methoxyhexan-3-yl prop-2-enoate
SMILESC=CC(=O)OC(CC)(CCC)OC
InChIInChI=1S/C10H18O3/c1-5-8-10(7-3,12-4)13-9(11)6-2/h6H,2,5,7-8H2,1,3-4H3
InChIKeyTWEQOIGKSIVLRW-UHFFFAOYSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-prop-2-enoyloxyoctan-4-yl prop-2-enoate
CID 141007070
3-methylhexan-3-yl prop-2-enoate
CID 87498844
4-prop-2-enoyloxyoctan-4-yl 2-methylprop-2-enoate
CID 141057446
triethyl(3-prop-2-enoyloxyhexan-3-yl)azanium bromide
CID 175252818
4-ethyloctan-4-yl prop-2-enoate
CID 164546411
(8-methyl-3-prop-2-enoyloxynonan-3-yl) prop-2-enoate
CID 167442239
(3-methyl-2-oxohexan-3-yl) prop-2-enoate
CID 177124679
(2-hydroxy-3-prop-2-enoyloxyhexan-3-yl) prop-2-enoate
CID 141398047
3-ethylpent-1-en-3-yl prop-2-enoate
CID 135009193
2-ethyl-2-prop-2-enoyloxypropanedioic acid
CID 174894826
2,3,3-trimethylpentan-2-yl prop-2-enoate
CID 129167601
7-pentyltridecan-7-yl prop-2-enoate
CID 166072578

Frequently Asked Questions

What is the IUPAC name of 3-methoxyhexan-3-yl prop-2-enoate?
The IUPAC name of 3-methoxyhexan-3-yl prop-2-enoate (CID 118937172) is 3-methoxyhexan-3-yl prop-2-enoate.
What is the SMILES notation for 3-methoxyhexan-3-yl prop-2-enoate?
The canonical SMILES for 3-methoxyhexan-3-yl prop-2-enoate is C=CC(=O)OC(CC)(CCC)OC.
What is the InChIKey of 3-methoxyhexan-3-yl prop-2-enoate?
The InChIKey is TWEQOIGKSIVLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-5-8-10(7-3,12-4)13-9(11)6-2/h6H,2,5,7-8H2,1,3-4H3.
What are the key properties of 3-methoxyhexan-3-yl prop-2-enoate?
3-methoxyhexan-3-yl prop-2-enoate has a molecular weight of 186.25 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyhexan-3-yl prop-2-enoate is sourced from PubChem (CID 118937172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).