methyl 11-(2-propylcyclopropyl)undecanoate

C18H34O2 — CID 11414874

IUPACmethyl 11-(2-propylcyclopropyl)undecanoate
SMILESCCCC1CC1CCCCCCCCCCC(=O)OC
InChIInChI=1S/C18H34O2/c1-3-12-16-15-17(16)13-10-8-6-4-5-7-9-11-14-18(19)20-2/h16-17H,3-15H2,1-2H3
InChIKeyHTMWGGZBCWYVQQ-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.50
Rot. Bonds13

About methyl 11-(2-propylcyclopropyl)undecanoate

methyl 11-(2-propylcyclopropyl)undecanoate (PubChem CID 11414874) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is methyl 11-(2-propylcyclopropyl)undecanoate.

Molecular Properties

Compound Namemethyl 11-(2-propylcyclopropyl)undecanoate
PubChem CID11414874
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Namemethyl 11-(2-propylcyclopropyl)undecanoate
SMILESCCCC1CC1CCCCCCCCCCC(=O)OC
InChIInChI=1S/C18H34O2/c1-3-12-16-15-17(16)13-10-8-6-4-5-7-9-11-14-18(19)20-2/h16-17H,3-15H2,1-2H3
InChIKeyHTMWGGZBCWYVQQ-UHFFFAOYSA-N
XLogP5.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.50
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

methyl 5-(2-undecylcyclopropyl)pentanoate
CID 534438
methyl 3-[(1R,2R)-2-butylcyclopropyl]propanoate
CID 13203150
methyl 8-(2-octylcyclopropyl)-8-oxooctanoate
CID 543365
methyl 8-[2-[(Z)-oct-2-enyl]cyclopropyl]octanoate
CID 69201087
methyl 8-[2-[9-(dimethylamino)heptadecyl]cyclopropyl]octanoate
CID 71679970
methyl 8-(2-oct-2-enylcyclopropyl)octanoate
CID 69201092
methyl 9-[(1R,2R)-2-butylcyclopentyl]nonanoate
CID 14389759
methyl 9-[(1S,2S)-2-butylcyclopentyl]nonanoate
CID 101259180
methyl 3-[2-[[2-[[2-[[2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]methyl]cyclopropyl]propanoate;9-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]nonan-2-one
CID 161261733
methyl 11-[(2S,5S)-5-propyloxolan-2-yl]undecanoate
CID 71389588
propan-2-yl 10-(2-hexylcyclopropyl)decanoate
CID 91692516
methyl 8-[2-[18-[4-(dimethylamino)butanoyloxy]octadecyl]cyclopropyl]octanoate
CID 90009011

Frequently Asked Questions

What is the IUPAC name of methyl 11-(2-propylcyclopropyl)undecanoate?
The IUPAC name of methyl 11-(2-propylcyclopropyl)undecanoate (CID 11414874) is methyl 11-(2-propylcyclopropyl)undecanoate.
What is the SMILES notation for methyl 11-(2-propylcyclopropyl)undecanoate?
The canonical SMILES for methyl 11-(2-propylcyclopropyl)undecanoate is CCCC1CC1CCCCCCCCCCC(=O)OC.
What is the InChIKey of methyl 11-(2-propylcyclopropyl)undecanoate?
The InChIKey is HTMWGGZBCWYVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-3-12-16-15-17(16)13-10-8-6-4-5-7-9-11-14-18(19)20-2/h16-17H,3-15H2,1-2H3.
What are the key properties of methyl 11-(2-propylcyclopropyl)undecanoate?
methyl 11-(2-propylcyclopropyl)undecanoate has a molecular weight of 282.47 g/mol, XLogP of 5.50, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11-(2-propylcyclopropyl)undecanoate is sourced from PubChem (CID 11414874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).