dicyclohexylmethyl 2-methylprop-2-enoate

C17H28O2 — CID 18921235

IUPACdicyclohexylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H28O2/c1-13(2)17(18)19-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h14-16H,1,3-12H2,2H3
InChIKeyYYYQAACKGIMODH-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.63
Rot. Bonds4

About dicyclohexylmethyl 2-methylprop-2-enoate

dicyclohexylmethyl 2-methylprop-2-enoate (PubChem CID 18921235) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is dicyclohexylmethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namedicyclohexylmethyl 2-methylprop-2-enoate
PubChem CID18921235
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Namedicyclohexylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H28O2/c1-13(2)17(18)19-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h14-16H,1,3-12H2,2H3
InChIKeyYYYQAACKGIMODH-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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Frequently Asked Questions

What is the IUPAC name of dicyclohexylmethyl 2-methylprop-2-enoate?
The IUPAC name of dicyclohexylmethyl 2-methylprop-2-enoate (CID 18921235) is dicyclohexylmethyl 2-methylprop-2-enoate.
What is the SMILES notation for dicyclohexylmethyl 2-methylprop-2-enoate?
The canonical SMILES for dicyclohexylmethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexylmethyl 2-methylprop-2-enoate?
The InChIKey is YYYQAACKGIMODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-13(2)17(18)19-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h14-16H,1,3-12H2,2H3.
What are the key properties of dicyclohexylmethyl 2-methylprop-2-enoate?
dicyclohexylmethyl 2-methylprop-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 dicyclohexylmethyl 2-methylprop-2-enoate is sourced from PubChem (CID 18921235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).