ethyl 3,3-dicyclopentyl-2-methylprop-2-enoate

C16H26O2 — CID 70663612

IUPACethyl 3,3-dicyclopentyl-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=C(C1CCCC1)C1CCCC1
InChIInChI=1S/C16H26O2/c1-3-18-16(17)12(2)15(13-8-4-5-9-13)14-10-6-7-11-14/h13-14H,3-11H2,1-2H3
InChIKeyRHVPOWSANVNGLX-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.25
Rot. Bonds4

About ethyl 3,3-dicyclopentyl-2-methylprop-2-enoate

ethyl 3,3-dicyclopentyl-2-methylprop-2-enoate (PubChem CID 70663612) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is ethyl 3,3-dicyclopentyl-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3,3-dicyclopentyl-2-methylprop-2-enoate
PubChem CID70663612
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Nameethyl 3,3-dicyclopentyl-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=C(C1CCCC1)C1CCCC1
InChIInChI=1S/C16H26O2/c1-3-18-16(17)12(2)15(13-8-4-5-9-13)14-10-6-7-11-14/h13-14H,3-11H2,1-2H3
InChIKeyRHVPOWSANVNGLX-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.25
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 ethyl 3,3-dicyclopentyl-2-methylprop-2-enoate?
The IUPAC name of ethyl 3,3-dicyclopentyl-2-methylprop-2-enoate (CID 70663612) is ethyl 3,3-dicyclopentyl-2-methylprop-2-enoate.
What is the SMILES notation for ethyl 3,3-dicyclopentyl-2-methylprop-2-enoate?
The canonical SMILES for ethyl 3,3-dicyclopentyl-2-methylprop-2-enoate is CCOC(=O)C(C)=C(C1CCCC1)C1CCCC1.
What is the InChIKey of ethyl 3,3-dicyclopentyl-2-methylprop-2-enoate?
The InChIKey is RHVPOWSANVNGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-3-18-16(17)12(2)15(13-8-4-5-9-13)14-10-6-7-11-14/h13-14H,3-11H2,1-2H3.
What are the key properties of ethyl 3,3-dicyclopentyl-2-methylprop-2-enoate?
ethyl 3,3-dicyclopentyl-2-methylprop-2-enoate has a molecular weight of 250.38 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3-dicyclopentyl-2-methylprop-2-enoate is sourced from PubChem (CID 70663612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).