cyclohexyl 2-ethylidenedodecanoate

C20H36O2 — CID 174585832

IUPACcyclohexyl 2-ethylidenedodecanoate
SMILESCC=C(CCCCCCCCCC)C(=O)OC1CCCCC1
InChIInChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-12-15-18(4-2)20(21)22-19-16-13-11-14-17-19/h4,19H,3,5-17H2,1-2H3
InChIKeyKCAAXEXLXANROY-UHFFFAOYSA-N
MW308.51 g/mol
LogP6.34
Rot. Bonds11

About cyclohexyl 2-ethylidenedodecanoate

cyclohexyl 2-ethylidenedodecanoate (PubChem CID 174585832) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is cyclohexyl 2-ethylidenedodecanoate.

Molecular Properties

Compound Namecyclohexyl 2-ethylidenedodecanoate
PubChem CID174585832
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Namecyclohexyl 2-ethylidenedodecanoate
SMILESCC=C(CCCCCCCCCC)C(=O)OC1CCCCC1
InChIInChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-12-15-18(4-2)20(21)22-19-16-13-11-14-17-19/h4,19H,3,5-17H2,1-2H3
InChIKeyKCAAXEXLXANROY-UHFFFAOYSA-N
XLogP6.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-O-cyclohexyl 1-O-hexyl oxalate
CID 6421307
cyclobutyl pentadecanoate
CID 46229794
octadecyl 2-ethylideneicosanoate
CID 174753193
2-O-cyclobutyl 1-O-tridecyl oxalate
CID 6420623
cyclohexyl 2-tributylsilylprop-2-enoate
CID 139634255
4-O-cycloheptyl 1-O-octadecyl butanedioate
CID 91710592
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
cyclopropyl decanoate
CID 154321154
1-cyclohexyldecan-1-one
CID 63409715
cyclohexyl 2-hydroxybut-2-enoate
CID 141455466
azane;cyclohexylcyclohexane;dodecanoic acid
CID 173305260
cyclopentyl (Z)-2-methylbut-2-enoate
CID 70402433

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-ethylidenedodecanoate?
The IUPAC name of cyclohexyl 2-ethylidenedodecanoate (CID 174585832) is cyclohexyl 2-ethylidenedodecanoate.
What is the SMILES notation for cyclohexyl 2-ethylidenedodecanoate?
The canonical SMILES for cyclohexyl 2-ethylidenedodecanoate is CC=C(CCCCCCCCCC)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-ethylidenedodecanoate?
The InChIKey is KCAAXEXLXANROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-12-15-18(4-2)20(21)22-19-16-13-11-14-17-19/h4,19H,3,5-17H2,1-2H3.
What are the key properties of cyclohexyl 2-ethylidenedodecanoate?
cyclohexyl 2-ethylidenedodecanoate has a molecular weight of 308.51 g/mol, XLogP of 6.34, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-ethylidenedodecanoate is sourced from PubChem (CID 174585832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).