(7-ethyl-2-methylundecan-4-yl) prop-2-enoate

C17H32O2 — CID 23496546

IUPAC(7-ethyl-2-methylundecan-4-yl) prop-2-enoate
SMILESC=CC(=O)OC(CCC(CC)CCCC)CC(C)C
InChIInChI=1S/C17H32O2/c1-6-9-10-15(7-2)11-12-16(13-14(4)5)19-17(18)8-3/h8,14-16H,3,6-7,9-13H2,1-2,4-5H3
InChIKeyLGFRVWZJVRDUSD-UHFFFAOYSA-N
MW268.44 g/mol
LogP5.13
Rot. Bonds11

About (7-ethyl-2-methylundecan-4-yl) prop-2-enoate

(7-ethyl-2-methylundecan-4-yl) prop-2-enoate (PubChem CID 23496546) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is (7-ethyl-2-methylundecan-4-yl) prop-2-enoate.

Molecular Properties

Compound Name(7-ethyl-2-methylundecan-4-yl) prop-2-enoate
PubChem CID23496546
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name(7-ethyl-2-methylundecan-4-yl) prop-2-enoate
SMILESC=CC(=O)OC(CCC(CC)CCCC)CC(C)C
InChIInChI=1S/C17H32O2/c1-6-9-10-15(7-2)11-12-16(13-14(4)5)19-17(18)8-3/h8,14-16H,3,6-7,9-13H2,1-2,4-5H3
InChIKeyLGFRVWZJVRDUSD-UHFFFAOYSA-N
XLogP5.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-ethylhexadecan-7-yl prop-2-enoate
CID 150115534
5-prop-2-enoyloxynonan-3-yl prop-2-enoate
CID 102116715
2-(4-ethyl-2-prop-2-enoyloxyoctoxy)ethyl prop-2-enoate
CID 163216514
4-prop-2-enoyloxynonan-2-yl prop-2-enoate
CID 102116709
tridecan-5-yl prop-2-enoate
CID 141073146
[(3S)-octan-3-yl] prop-2-enoate
CID 93001261
[(2S)-2-ethylhexyl] prop-2-enoate
CID 6994086
dodecan-3-yl prop-2-enoate
CID 543279
heptadecan-8-yl prop-2-enoate
CID 121420657
octadecan-6-yl prop-2-enoate
CID 91523695
ethanol;octan-3-yl prop-2-enoate
CID 158914224
octan-3-yl prop-2-enoate;prop-2-enoic acid
CID 87087074

Frequently Asked Questions

What is the IUPAC name of (7-ethyl-2-methylundecan-4-yl) prop-2-enoate?
The IUPAC name of (7-ethyl-2-methylundecan-4-yl) prop-2-enoate (CID 23496546) is (7-ethyl-2-methylundecan-4-yl) prop-2-enoate.
What is the SMILES notation for (7-ethyl-2-methylundecan-4-yl) prop-2-enoate?
The canonical SMILES for (7-ethyl-2-methylundecan-4-yl) prop-2-enoate is C=CC(=O)OC(CCC(CC)CCCC)CC(C)C.
What is the InChIKey of (7-ethyl-2-methylundecan-4-yl) prop-2-enoate?
The InChIKey is LGFRVWZJVRDUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-6-9-10-15(7-2)11-12-16(13-14(4)5)19-17(18)8-3/h8,14-16H,3,6-7,9-13H2,1-2,4-5H3.
What are the key properties of (7-ethyl-2-methylundecan-4-yl) prop-2-enoate?
(7-ethyl-2-methylundecan-4-yl) prop-2-enoate has a molecular weight of 268.44 g/mol, XLogP of 5.13, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethyl-2-methylundecan-4-yl) prop-2-enoate is sourced from PubChem (CID 23496546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).