2-methylhex-5-enyl undec-10-enoate

C18H32O2 — CID 11150207

IUPAC2-methylhex-5-enyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OCC(C)CCC=C
InChIInChI=1S/C18H32O2/c1-4-6-8-9-10-11-12-13-15-18(19)20-16-17(3)14-7-5-2/h4-5,17H,1-2,6-16H2,3H3
InChIKeyKQKZAWPKEDAIIA-UHFFFAOYSA-N
MW280.45 g/mol
LogP5.44
Rot. Bonds14

About 2-methylhex-5-enyl undec-10-enoate

2-methylhex-5-enyl undec-10-enoate (PubChem CID 11150207) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 2-methylhex-5-enyl undec-10-enoate.

Molecular Properties

Compound Name2-methylhex-5-enyl undec-10-enoate
PubChem CID11150207
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name2-methylhex-5-enyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)OCC(C)CCC=C
InChIInChI=1S/C18H32O2/c1-4-6-8-9-10-11-12-13-15-18(19)20-16-17(3)14-7-5-2/h4-5,17H,1-2,6-16H2,3H3
InChIKeyKQKZAWPKEDAIIA-UHFFFAOYSA-N
XLogP5.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylhex-5-enyl propanoate
CID 139914758
2-methylhexyl (Z)-octadec-9-enoate
CID 141301158
2-hydroxybutyl 10-hydroxyhexadec-15-enoate
CID 157441830
bis(2-methylpentyl) heptanedioate
CID 91718408
[(2R)-2,3-dihydroxypropyl] dec-9-enoate
CID 53301863
10-O-(4-methoxy-2-methylbutyl) 1-O-(2-methylpropyl) decanedioate
CID 91702818
[6-hydroxy-2-(undec-10-enoyloxymethyl)hexyl] undec-10-enoate
CID 169317599
bis(2,5-dimethylhexyl) hexanedioate
CID 155755253
2-dec-9-enoyloxyethyl dec-9-enoate
CID 153465043
[2-hydroxy-3-(2-hydroxyacetyl)oxypropyl] undec-10-enoate
CID 58519858
2-methylundecyl undecanoate
CID 71429255
ethyl hept-6-enoate
CID 560341

Frequently Asked Questions

What is the IUPAC name of 2-methylhex-5-enyl undec-10-enoate?
The IUPAC name of 2-methylhex-5-enyl undec-10-enoate (CID 11150207) is 2-methylhex-5-enyl undec-10-enoate.
What is the SMILES notation for 2-methylhex-5-enyl undec-10-enoate?
The canonical SMILES for 2-methylhex-5-enyl undec-10-enoate is C=CCCCCCCCCC(=O)OCC(C)CCC=C.
What is the InChIKey of 2-methylhex-5-enyl undec-10-enoate?
The InChIKey is KQKZAWPKEDAIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-4-6-8-9-10-11-12-13-15-18(19)20-16-17(3)14-7-5-2/h4-5,17H,1-2,6-16H2,3H3.
What are the key properties of 2-methylhex-5-enyl undec-10-enoate?
2-methylhex-5-enyl undec-10-enoate has a molecular weight of 280.45 g/mol, XLogP of 5.44, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhex-5-enyl undec-10-enoate is sourced from PubChem (CID 11150207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).