2,3-dihydroxypropyl cyclodecene-1-carboxylate

C14H24O4 — CID 175925690

IUPAC2,3-dihydroxypropyl cyclodecene-1-carboxylate
SMILESO=C(OCC(O)CO)C1=CCCCCCCCC1
InChIInChI=1S/C14H24O4/c15-10-13(16)11-18-14(17)12-8-6-4-2-1-3-5-7-9-12/h8,13,15-16H,1-7,9-11H2
InChIKeyIRQAFHSSDGBALC-UHFFFAOYSA-N
MW256.34 g/mol
LogP1.94
Rot. Bonds4

About 2,3-dihydroxypropyl cyclodecene-1-carboxylate

2,3-dihydroxypropyl cyclodecene-1-carboxylate (PubChem CID 175925690) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2,3-dihydroxypropyl cyclodecene-1-carboxylate.

Molecular Properties

Compound Name2,3-dihydroxypropyl cyclodecene-1-carboxylate
PubChem CID175925690
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2,3-dihydroxypropyl cyclodecene-1-carboxylate
SMILESO=C(OCC(O)CO)C1=CCCCCCCCC1
InChIInChI=1S/C14H24O4/c15-10-13(16)11-18-14(17)12-8-6-4-2-1-3-5-7-9-12/h8,13,15-16H,1-7,9-11H2
InChIKeyIRQAFHSSDGBALC-UHFFFAOYSA-N
XLogP1.94
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

hydroxymethyl cyclohexene-1-carboxylate
CID 91001163
ethyl cycloundecene-1-carboxylate
CID 154164177
ethyl (6Z)-1-oxacyclopentadec-6-ene-7-carboxylate
CID 102299212
2-(cyclopentene-1-carbonyloxy)propyl cyclopentene-1-carboxylate
CID 150652864
methyl cyclododecene-1-carboxylate
CID 54564642
stibanyl cyclohexene-1-carboxylate
CID 174261272
cycloheptene-1-carboxamide
CID 22261654
2-(cyclohexene-1-carbonyloxy)ethyl benzoate
CID 90721732
cyclopropyl cycloheptene-1-carboxylate
CID 130634533
2-azidoethyl cyclohexene-1-carboxylate
CID 90220717
(2R,3R,4R)-1-(cyclohexen-1-yl)-2,3,4,5-tetrahydroxypentan-1-one
CID 178068572
2-(aminomethyl)-1-(cycloocten-1-yl)-3-methylbutan-1-one
CID 106655359

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl cyclodecene-1-carboxylate?
The IUPAC name of 2,3-dihydroxypropyl cyclodecene-1-carboxylate (CID 175925690) is 2,3-dihydroxypropyl cyclodecene-1-carboxylate.
What is the SMILES notation for 2,3-dihydroxypropyl cyclodecene-1-carboxylate?
The canonical SMILES for 2,3-dihydroxypropyl cyclodecene-1-carboxylate is O=C(OCC(O)CO)C1=CCCCCCCCC1.
What is the InChIKey of 2,3-dihydroxypropyl cyclodecene-1-carboxylate?
The InChIKey is IRQAFHSSDGBALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c15-10-13(16)11-18-14(17)12-8-6-4-2-1-3-5-7-9-12/h8,13,15-16H,1-7,9-11H2.
What are the key properties of 2,3-dihydroxypropyl cyclodecene-1-carboxylate?
2,3-dihydroxypropyl cyclodecene-1-carboxylate has a molecular weight of 256.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl cyclodecene-1-carboxylate is sourced from PubChem (CID 175925690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).