1-hydroxyhex-1-enyl undec-10-enoate

C17H30O3 — CID 173165228

IUPAC1-hydroxyhex-1-enyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OC(O)=CCCCC
InChIInChI=1S/C17H30O3/c1-3-5-7-8-9-10-11-13-15-17(19)20-16(18)14-12-6-4-2/h3,14,18H,1,4-13,15H2,2H3
InChIKeyJJBIRTFKJRZJFU-UHFFFAOYSA-N
MW282.42 g/mol
LogP5.43
Rot. Bonds13

About 1-hydroxyhex-1-enyl undec-10-enoate

1-hydroxyhex-1-enyl undec-10-enoate (PubChem CID 173165228) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 1-hydroxyhex-1-enyl undec-10-enoate.

Molecular Properties

Compound Name1-hydroxyhex-1-enyl undec-10-enoate
PubChem CID173165228
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name1-hydroxyhex-1-enyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OC(O)=CCCCC
InChIInChI=1S/C17H30O3/c1-3-5-7-8-9-10-11-13-15-17(19)20-16(18)14-12-6-4-2/h3,14,18H,1,4-13,15H2,2H3
InChIKeyJJBIRTFKJRZJFU-UHFFFAOYSA-N
XLogP5.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.42
LogP ≤ 55.43
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

dec-1-ene;dec-9-enoic acid
CID 87497067
hexyl oct-7-enoate
CID 91748282
heptyl hept-6-enoate
CID 129220829
hept-6-enyl nonanoate
CID 146588194
hex-5-enyl decanoate
CID 166881880
hept-6-enyl hexacosanoate
CID 102118795
ethane;hexyl dec-9-enoate
CID 142461660
hexadec-15-en-5-one
CID 91482743
pentacos-1-en-11-one
CID 21420755
pentadec-14-en-7-one
CID 11528685
tricos-1-en-11-one
CID 146680996
acetic acid;oct-1-ene
CID 159976970

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyhex-1-enyl undec-10-enoate?
The IUPAC name of 1-hydroxyhex-1-enyl undec-10-enoate (CID 173165228) is 1-hydroxyhex-1-enyl undec-10-enoate.
What is the SMILES notation for 1-hydroxyhex-1-enyl undec-10-enoate?
The canonical SMILES for 1-hydroxyhex-1-enyl undec-10-enoate is C=CCCCCCCCCC(=O)OC(O)=CCCCC.
What is the InChIKey of 1-hydroxyhex-1-enyl undec-10-enoate?
The InChIKey is JJBIRTFKJRZJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-3-5-7-8-9-10-11-13-15-17(19)20-16(18)14-12-6-4-2/h3,14,18H,1,4-13,15H2,2H3.
What are the key properties of 1-hydroxyhex-1-enyl undec-10-enoate?
1-hydroxyhex-1-enyl undec-10-enoate has a molecular weight of 282.42 g/mol, XLogP of 5.43, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyhex-1-enyl undec-10-enoate is sourced from PubChem (CID 173165228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).