1,1-dicyclohexylethyl prop-2-enoate

C17H28O2 — CID 23450575

IUPAC1,1-dicyclohexylethyl prop-2-enoate
SMILESC=CC(=O)OC(C)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H28O2/c1-3-16(18)19-17(2,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h3,14-15H,1,4-13H2,2H3
InChIKeyBDBGYUVLJQPEKP-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.63
Rot. Bonds4

About 1,1-dicyclohexylethyl prop-2-enoate

1,1-dicyclohexylethyl prop-2-enoate (PubChem CID 23450575) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1,1-dicyclohexylethyl prop-2-enoate.

Molecular Properties

Compound Name1,1-dicyclohexylethyl prop-2-enoate
PubChem CID23450575
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name1,1-dicyclohexylethyl prop-2-enoate
SMILESC=CC(=O)OC(C)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H28O2/c1-3-16(18)19-17(2,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h3,14-15H,1,4-13H2,2H3
InChIKeyBDBGYUVLJQPEKP-UHFFFAOYSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.63
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

2-cycloheptylbutan-2-yl prop-2-enoate
CID 170992142
tert-butyl prop-2-enoate;cyclohexanol
CID 135319447
tert-butyl prop-2-enoate;cyclopentatetracontane
CID 174869509
tert-butyl prop-2-enoate;cycloicosane
CID 174934602
tert-butyl prop-2-enoate;cyclononadecane
CID 174964635
1,1-dicyclohexylethyl 2-methylprop-2-enoate
CID 22090694
[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate
CID 58734454
2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate
CID 141152964
tert-butyl prop-2-enoate
CID 158231977
cyclohexyl prop-2-enoate;2-methylprop-1-ene
CID 174895643
1,1-bis(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethyl prop-2-enoate
CID 91159013
(1-cyclopentyl-1-ethenoxyethyl)cyclopentane
CID 175531377

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclohexylethyl prop-2-enoate?
The IUPAC name of 1,1-dicyclohexylethyl prop-2-enoate (CID 23450575) is 1,1-dicyclohexylethyl prop-2-enoate.
What is the SMILES notation for 1,1-dicyclohexylethyl prop-2-enoate?
The canonical SMILES for 1,1-dicyclohexylethyl prop-2-enoate is C=CC(=O)OC(C)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,1-dicyclohexylethyl prop-2-enoate?
The InChIKey is BDBGYUVLJQPEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-3-16(18)19-17(2,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h3,14-15H,1,4-13H2,2H3.
What are the key properties of 1,1-dicyclohexylethyl prop-2-enoate?
1,1-dicyclohexylethyl prop-2-enoate has a molecular weight of 264.41 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexylethyl prop-2-enoate is sourced from PubChem (CID 23450575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).