1-hydroxypropyl undec-2-enoate

C14H26O3 — CID 176894989

IUPAC1-hydroxypropyl undec-2-enoate
SMILESCCCCCCCCC=CC(=O)OC(O)CC
InChIInChI=1S/C14H26O3/c1-3-5-6-7-8-9-10-11-12-14(16)17-13(15)4-2/h11-13,15H,3-10H2,1-2H3
InChIKeyFNDDEXROHZBNEC-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.56
Rot. Bonds10

About 1-hydroxypropyl undec-2-enoate

1-hydroxypropyl undec-2-enoate (PubChem CID 176894989) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-hydroxypropyl undec-2-enoate.

Molecular Properties

Compound Name1-hydroxypropyl undec-2-enoate
PubChem CID176894989
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name1-hydroxypropyl undec-2-enoate
SMILESCCCCCCCCC=CC(=O)OC(O)CC
InChIInChI=1S/C14H26O3/c1-3-5-6-7-8-9-10-11-12-14(16)17-13(15)4-2/h11-13,15H,3-10H2,1-2H3
InChIKeyFNDDEXROHZBNEC-UHFFFAOYSA-N
XLogP3.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

undec-2-enoyl undec-2-enoate
CID 54428963
bis(1-hydroxypropyl) (E)-but-2-enedioate
CID 87089328
[2-hydroxy-3-[(E)-icos-2-enoyl]oxypropyl] (E)-icos-2-enoate
CID 170896718
ethyl (E)-octadec-2-enoate
CID 10913939
ethyl tridec-2-enoate
CID 54010960
(Z)-2-octadec-2-enoyloxyoctadec-9-enoic acid
CID 173127427
pentadecyl icos-2-enoate
CID 175935360
di(undec-2-enoyloxy)alumanyl undec-2-enoate
CID 139974611
icos-1-enyl docos-2-enoate
CID 54494040
octadec-1-enyl icos-2-enoate
CID 53437848
butyl icos-2-enoate
CID 91561454
dodecyl octadec-2-enoate
CID 71338613

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropyl undec-2-enoate?
The IUPAC name of 1-hydroxypropyl undec-2-enoate (CID 176894989) is 1-hydroxypropyl undec-2-enoate.
What is the SMILES notation for 1-hydroxypropyl undec-2-enoate?
The canonical SMILES for 1-hydroxypropyl undec-2-enoate is CCCCCCCCC=CC(=O)OC(O)CC.
What is the InChIKey of 1-hydroxypropyl undec-2-enoate?
The InChIKey is FNDDEXROHZBNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-3-5-6-7-8-9-10-11-12-14(16)17-13(15)4-2/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 1-hydroxypropyl undec-2-enoate?
1-hydroxypropyl undec-2-enoate has a molecular weight of 242.36 g/mol, XLogP of 3.56, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropyl undec-2-enoate is sourced from PubChem (CID 176894989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).