2-cycloheptylpropan-2-yl 2-methylprop-2-enoate

C14H24O2 — CID 139975270

IUPAC2-cycloheptylpropan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C1CCCCCC1
InChIInChI=1S/C14H24O2/c1-11(2)13(15)16-14(3,4)12-9-7-5-6-8-10-12/h12H,1,5-10H2,2-4H3
InChIKeyYXPFKHSZNUBKAO-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.85
Rot. Bonds3

About 2-cycloheptylpropan-2-yl 2-methylprop-2-enoate

2-cycloheptylpropan-2-yl 2-methylprop-2-enoate (PubChem CID 139975270) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-cycloheptylpropan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-cycloheptylpropan-2-yl 2-methylprop-2-enoate
PubChem CID139975270
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-cycloheptylpropan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C1CCCCCC1
InChIInChI=1S/C14H24O2/c1-11(2)13(15)16-14(3,4)12-9-7-5-6-8-10-12/h12H,1,5-10H2,2-4H3
InChIKeyYXPFKHSZNUBKAO-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.85
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-cyclopentylpropan-2-yl 2-methylprop-2-enoate
CID 59130085
1,1-dicyclohexylethyl 2-methylprop-2-enoate
CID 22090694
2-cyclohexylpropan-2-yl hydroxy carbonate
CID 23207841
2-(3,3-difluorocyclopentyl)propan-2-yl 2-methylprop-2-enoate
CID 155355016
tert-butyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 174729608
(3-cyclopentyl-2-methylhex-4-yn-3-yl) 2-methylprop-2-enoate
CID 164803622
2-cyclohexylpropan-2-yl piperidine-1-carboxylate
CID 59148790
(2,2-dicyclopentyl-2-hydroxyethyl) 2-methylprop-2-enoate
CID 57100902
2-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl 2-methylprop-2-enoate
CID 89474757
[1-cyclohexyl-1-(4-prop-2-enylphenyl)ethyl] 2-methylprop-2-enoate
CID 163741956
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
(2-cyclohexyl-2-ethylbutyl) 2-methylprop-2-enoate
CID 144855879

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptylpropan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 2-cycloheptylpropan-2-yl 2-methylprop-2-enoate (CID 139975270) is 2-cycloheptylpropan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 2-cycloheptylpropan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 2-cycloheptylpropan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)C1CCCCCC1.
What is the InChIKey of 2-cycloheptylpropan-2-yl 2-methylprop-2-enoate?
The InChIKey is YXPFKHSZNUBKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-11(2)13(15)16-14(3,4)12-9-7-5-6-8-10-12/h12H,1,5-10H2,2-4H3.
What are the key properties of 2-cycloheptylpropan-2-yl 2-methylprop-2-enoate?
2-cycloheptylpropan-2-yl 2-methylprop-2-enoate has a molecular weight of 224.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptylpropan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 139975270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).