cyclohexyl 3-cyclohexyl-2-methylprop-2-enoate

C16H26O2 — CID 57027982

IUPACcyclohexyl 3-cyclohexyl-2-methylprop-2-enoate
SMILESCC(=CC1CCCCC1)C(=O)OC1CCCCC1
InChIInChI=1S/C16H26O2/c1-13(12-14-8-4-2-5-9-14)16(17)18-15-10-6-3-7-11-15/h12,14-15H,2-11H2,1H3
InChIKeyJJLCBPVVXHZTRY-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.39
Rot. Bonds3

About cyclohexyl 3-cyclohexyl-2-methylprop-2-enoate

cyclohexyl 3-cyclohexyl-2-methylprop-2-enoate (PubChem CID 57027982) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is cyclohexyl 3-cyclohexyl-2-methylprop-2-enoate.

Molecular Properties

Compound Namecyclohexyl 3-cyclohexyl-2-methylprop-2-enoate
PubChem CID57027982
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Namecyclohexyl 3-cyclohexyl-2-methylprop-2-enoate
SMILESCC(=CC1CCCCC1)C(=O)OC1CCCCC1
InChIInChI=1S/C16H26O2/c1-13(12-14-8-4-2-5-9-14)16(17)18-15-10-6-3-7-11-15/h12,14-15H,2-11H2,1H3
InChIKeyJJLCBPVVXHZTRY-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.39
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

methyl (Z)-3-cyclohexyl-2-methylprop-2-enoate
CID 22862396
cyclopentyl (Z)-2-methylbut-2-enoate
CID 70402433
dicycloheptyl (Z)-2-methylbut-2-enedioate
CID 135353626
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
cyclohexyl 3-dimethylsilyl-2-methylprop-2-enoate
CID 174714345
(E)-3-cyclohexyl-2-methylprop-2-enoate
CID 21225952
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
5-cyclohexyloxy-4-methyl-5-oxopent-3-enoic acid
CID 174188795
butyl 3-cyclohexyl-2-methylprop-2-enoate
CID 67443261
2-(2-methylprop-2-enoyloxy)ethyl 3-cyclohexyl-2-methylprop-2-enoate
CID 174865636
butyl (E)-3-cyclohexyl-2-methylprop-2-enoate
CID 87402631
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 3-cyclohexyl-2-methylprop-2-enoate?
The IUPAC name of cyclohexyl 3-cyclohexyl-2-methylprop-2-enoate (CID 57027982) is cyclohexyl 3-cyclohexyl-2-methylprop-2-enoate.
What is the SMILES notation for cyclohexyl 3-cyclohexyl-2-methylprop-2-enoate?
The canonical SMILES for cyclohexyl 3-cyclohexyl-2-methylprop-2-enoate is CC(=CC1CCCCC1)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 3-cyclohexyl-2-methylprop-2-enoate?
The InChIKey is JJLCBPVVXHZTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-13(12-14-8-4-2-5-9-14)16(17)18-15-10-6-3-7-11-15/h12,14-15H,2-11H2,1H3.
What are the key properties of cyclohexyl 3-cyclohexyl-2-methylprop-2-enoate?
cyclohexyl 3-cyclohexyl-2-methylprop-2-enoate has a molecular weight of 250.38 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 3-cyclohexyl-2-methylprop-2-enoate is sourced from PubChem (CID 57027982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).