2-[1-(2-prop-2-enoxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate

C19H32O3 — CID 146666204

IUPAC2-[1-(2-prop-2-enoxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate
SMILESC=CCOCCC1(CCOC(=O)C=C)CCC(CCC)CC1
InChIInChI=1S/C19H32O3/c1-4-7-17-8-10-19(11-9-17,12-15-21-14-5-2)13-16-22-18(20)6-3/h5-6,17H,2-4,7-16H2,1H3
InChIKeyNDSWDKRJVSYLPP-UHFFFAOYSA-N
MW308.46 g/mol
LogP4.68
Rot. Bonds11

About 2-[1-(2-prop-2-enoxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate

2-[1-(2-prop-2-enoxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate (PubChem CID 146666204) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is 2-[1-(2-prop-2-enoxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[1-(2-prop-2-enoxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate
PubChem CID146666204
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name2-[1-(2-prop-2-enoxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate
SMILESC=CCOCCC1(CCOC(=O)C=C)CCC(CCC)CC1
InChIInChI=1S/C19H32O3/c1-4-7-17-8-10-19(11-9-17,12-15-21-14-5-2)13-16-22-18(20)6-3/h5-6,17H,2-4,7-16H2,1H3
InChIKeyNDSWDKRJVSYLPP-UHFFFAOYSA-N
XLogP4.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-butyl-1-(2-prop-2-enoyloxyethyl)cyclohexyl]ethyl prop-2-enoate
CID 129143051
4-(2-methylprop-2-enoyloxy)butyl 4-propylcyclohexane-1-carboxylate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-(4-propylcyclohexyl)cyclohexyl]ethyl 2-methylprop-2-enoate;2-[1-[2-(2-methylprop-2-enoyloxy)ethyl]-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate;4-prop-2-enoyloxybutyl 4-propylcyclohexane-1-carboxylate;2-[1-(2-prop-2-enoyloxyethyl)-4-(4-propylcyclohexyl)cyclohexyl]ethyl prop-2-enoate;2-[1-(2-prop-2-enoyloxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate;6-prop-2-enoyloxyhexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate
CID 162094296
2-[1-(2-propanoyloxyethyl)-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate
CID 123204528
[1-[2-[1-(6-prop-2-enoyloxyhexanoyloxy)-4-propylcyclohexyl]ethynyl]-4-propylcyclohexyl] 6-prop-2-enoyloxyhexanoate
CID 89075363
3-[1-[2-[1-(3-buta-1,3-dien-2-yloxypropoxy)-4-propylcyclohexyl]ethynyl]-4-propylcyclohexyl]oxypropyl prop-2-enoate
CID 59309314
2-(2-ethylcyclopropyl)ethyl prop-2-enoate
CID 59721630
3-[4-[1-methyl-4-(3-prop-2-enoyloxypropyl)cyclohexyl]cyclohexyl]propyl prop-2-enoate
CID 89276186
7-[4-[4-(1-isocyano-4-propylcyclohexyl)phenyl]phenyl]heptyl prop-2-enoate
CID 20721763
[1-[2-[1-(6-prop-2-enoyloxyhexanoyloxy)-4-propylcyclohexyl]ethynyl]-4-propylcyclohexyl] 6-buta-1,3-dien-2-yloxyhexanoate
CID 89233543
5-hexoxypentyl prop-2-enoate
CID 141336215
4-[1-[4-[1-(4-prop-2-enoyloxybutoxy)-4-(4-propylcyclohexyl)cyclohexyl]phenyl]-4-(4-propylcyclohexyl)cyclohexyl]oxybutyl prop-2-enoate
CID 89069472
6-prop-2-enoyloxyhexyl 4-pentylcyclohexane-1-carboxylate
CID 126578276

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-prop-2-enoxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate?
The IUPAC name of 2-[1-(2-prop-2-enoxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate (CID 146666204) is 2-[1-(2-prop-2-enoxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate.
What is the SMILES notation for 2-[1-(2-prop-2-enoxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate?
The canonical SMILES for 2-[1-(2-prop-2-enoxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate is C=CCOCCC1(CCOC(=O)C=C)CCC(CCC)CC1.
What is the InChIKey of 2-[1-(2-prop-2-enoxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate?
The InChIKey is NDSWDKRJVSYLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3/c1-4-7-17-8-10-19(11-9-17,12-15-21-14-5-2)13-16-22-18(20)6-3/h5-6,17H,2-4,7-16H2,1H3.
What are the key properties of 2-[1-(2-prop-2-enoxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate?
2-[1-(2-prop-2-enoxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate has a molecular weight of 308.46 g/mol, XLogP of 4.68, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-prop-2-enoxyethyl)-4-propylcyclohexyl]ethyl prop-2-enoate is sourced from PubChem (CID 146666204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).