(3-decylcyclohexyl) 2-methylprop-2-enoate

C20H36O2 — CID 141237299

IUPAC(3-decylcyclohexyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCC(CCCCCCCCCC)C1
InChIInChI=1S/C20H36O2/c1-4-5-6-7-8-9-10-11-13-18-14-12-15-19(16-18)22-20(21)17(2)3/h18-19H,2,4-16H2,1,3H3
InChIKeyZVUSTIZZTMTCJJ-UHFFFAOYSA-N
MW308.51 g/mol
LogP6.20
Rot. Bonds11

About (3-decylcyclohexyl) 2-methylprop-2-enoate

(3-decylcyclohexyl) 2-methylprop-2-enoate (PubChem CID 141237299) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is (3-decylcyclohexyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3-decylcyclohexyl) 2-methylprop-2-enoate
PubChem CID141237299
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name(3-decylcyclohexyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCC(CCCCCCCCCC)C1
InChIInChI=1S/C20H36O2/c1-4-5-6-7-8-9-10-11-13-18-14-12-15-19(16-18)22-20(21)17(2)3/h18-19H,2,4-16H2,1,3H3
InChIKeyZVUSTIZZTMTCJJ-UHFFFAOYSA-N
XLogP6.20
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 ≤ 56.20
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

(4-nonylcyclohexyl) 2-methylprop-2-enoate
CID 141237341
(4-butylcyclohexyl) 2-methylprop-2-enoate
CID 19083728
[3-(4-pentylcyclohexyl)cyclohexyl] acetate
CID 23040988
(2-octadecylcyclohexyl) 2-methylprop-2-enoate
CID 141237308
1,3-diheptylcyclohexane
CID 19973333
cis-(1S,3R)-1-ethoxy-3-pentylcyclohexane
CID 101096763
1,3-dipentylcyclohexane
CID 54105663
heptylcyclohexane;propan-2-one
CID 143570854
(3-ethylcyclohexyl) 2-methylidenebutanoate
CID 156770755
3-hexylcyclohexane-1-carboxylic acid
CID 66817282
dodecylcyclobutane;1-pyridin-1-ium-1-ylethyl 2-methylprop-2-enoate
CID 22672205
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373

Frequently Asked Questions

What is the IUPAC name of (3-decylcyclohexyl) 2-methylprop-2-enoate?
The IUPAC name of (3-decylcyclohexyl) 2-methylprop-2-enoate (CID 141237299) is (3-decylcyclohexyl) 2-methylprop-2-enoate.
What is the SMILES notation for (3-decylcyclohexyl) 2-methylprop-2-enoate?
The canonical SMILES for (3-decylcyclohexyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCCC(CCCCCCCCCC)C1.
What is the InChIKey of (3-decylcyclohexyl) 2-methylprop-2-enoate?
The InChIKey is ZVUSTIZZTMTCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2/c1-4-5-6-7-8-9-10-11-13-18-14-12-15-19(16-18)22-20(21)17(2)3/h18-19H,2,4-16H2,1,3H3.
What are the key properties of (3-decylcyclohexyl) 2-methylprop-2-enoate?
(3-decylcyclohexyl) 2-methylprop-2-enoate has a molecular weight of 308.51 g/mol, XLogP of 6.20, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-decylcyclohexyl) 2-methylprop-2-enoate is sourced from PubChem (CID 141237299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).