prop-1-en-2-yl 7-hydroxyheptanoate

C10H18O3 — CID 89295199

IUPACprop-1-en-2-yl 7-hydroxyheptanoate
SMILESC=C(C)OC(=O)CCCCCCO
InChIInChI=1S/C10H18O3/c1-9(2)13-10(12)7-5-3-4-6-8-11/h11H,1,3-8H2,2H3
InChIKeySNNQJTLCAISMIX-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.01
Rot. Bonds7

About prop-1-en-2-yl 7-hydroxyheptanoate

prop-1-en-2-yl 7-hydroxyheptanoate (PubChem CID 89295199) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is prop-1-en-2-yl 7-hydroxyheptanoate.

Molecular Properties

Compound Nameprop-1-en-2-yl 7-hydroxyheptanoate
PubChem CID89295199
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nameprop-1-en-2-yl 7-hydroxyheptanoate
SMILESC=C(C)OC(=O)CCCCCCO
InChIInChI=1S/C10H18O3/c1-9(2)13-10(12)7-5-3-4-6-8-11/h11H,1,3-8H2,2H3
InChIKeySNNQJTLCAISMIX-UHFFFAOYSA-N
XLogP2.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 14-hydroxytetradecanoate
CID 13245690
3-pentyloctyl 8-[4-hydroxybutyl-(8-oxo-8-prop-1-en-2-yloxyoctyl)amino]octanoate
CID 178085137
2-(2-methylprop-2-enoyloxy)ethyl 8-hydroxyoctanoate
CID 141150360
ethene;9-hydroxynonan-2-one
CID 23344517
19-hydroxynonadecan-2-one
CID 123829227
21-hydroxyhenicosan-2-one
CID 153324955
propanoyl 4-hydroxybutanoate
CID 88799917
10-hydroxydecanoyl octadec-9-enoate
CID 154118243
tert-butyl 16-hydroxyhexadecanoate
CID 118542708
1-tetradecanoyloxyethenyl tetradecanoate
CID 141442366
ethenyl 16-hydroxyhexadecanoate
CID 88593683
ethenyl 6-hydroxyhexanoate
CID 88593109

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl 7-hydroxyheptanoate?
The IUPAC name of prop-1-en-2-yl 7-hydroxyheptanoate (CID 89295199) is prop-1-en-2-yl 7-hydroxyheptanoate.
What is the SMILES notation for prop-1-en-2-yl 7-hydroxyheptanoate?
The canonical SMILES for prop-1-en-2-yl 7-hydroxyheptanoate is C=C(C)OC(=O)CCCCCCO.
What is the InChIKey of prop-1-en-2-yl 7-hydroxyheptanoate?
The InChIKey is SNNQJTLCAISMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(2)13-10(12)7-5-3-4-6-8-11/h11H,1,3-8H2,2H3.
What are the key properties of prop-1-en-2-yl 7-hydroxyheptanoate?
prop-1-en-2-yl 7-hydroxyheptanoate has a molecular weight of 186.25 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl 7-hydroxyheptanoate is sourced from PubChem (CID 89295199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).