cyclopropyl decanoate

C13H24O2 — CID 154321154

IUPACcyclopropyl decanoate
SMILESCCCCCCCCCC(=O)OC1CC1
InChIInChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-13(14)15-12-10-11-12/h12H,2-11H2,1H3
InChIKeyNSCQYYVOPNDVRA-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.83
Rot. Bonds9

About cyclopropyl decanoate

cyclopropyl decanoate (PubChem CID 154321154) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is cyclopropyl decanoate.

Molecular Properties

Compound Namecyclopropyl decanoate
PubChem CID154321154
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Namecyclopropyl decanoate
SMILESCCCCCCCCCC(=O)OC1CC1
InChIInChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-13(14)15-12-10-11-12/h12H,2-11H2,1H3
InChIKeyNSCQYYVOPNDVRA-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclobutyl pentadecanoate
CID 46229794
(4-hexadecanoyloxycyclohexyl) (Z)-octadec-9-enoate
CID 101255387
[4-[(Z)-octadec-9-enoyl]oxycyclohexyl] (Z)-octadec-9-enoate
CID 101255389
(1-hydroxypiperidin-4-yl) octanoate
CID 21019115
(3-nonanoyloxycyclohexyl) nonanoate
CID 74221302
[4-(4-cyanocyclohexyl)cyclohexyl] heptanoate
CID 57187482
piperidin-4-yl pentanoate
CID 45091374
(1,1-dimethylazepan-1-ium-4-yl) octadecanoate
CID 110188471
[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] dodecanoate
CID 101479757
[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] dodecanoate
CID 102152298
(2,3,4,5,6-pentahydroxycyclohexyl) dodecanoate
CID 164776701
[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl] pentanoate
CID 70424682

Frequently Asked Questions

What is the IUPAC name of cyclopropyl decanoate?
The IUPAC name of cyclopropyl decanoate (CID 154321154) is cyclopropyl decanoate.
What is the SMILES notation for cyclopropyl decanoate?
The canonical SMILES for cyclopropyl decanoate is CCCCCCCCCC(=O)OC1CC1.
What is the InChIKey of cyclopropyl decanoate?
The InChIKey is NSCQYYVOPNDVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-13(14)15-12-10-11-12/h12H,2-11H2,1H3.
What are the key properties of cyclopropyl decanoate?
cyclopropyl decanoate has a molecular weight of 212.33 g/mol, XLogP of 3.83, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl decanoate is sourced from PubChem (CID 154321154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).