[3-ethenyl-1,4,4-trimethyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl] 2-methylprop-2-enoate

C17H24O2 — CID 134170354

IUPAC[3-ethenyl-1,4,4-trimethyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl] 2-methylprop-2-enoate
SMILESC=CC1=C(/C=C\C)C(C)(OC(=O)C(=C)C)CC1(C)C
InChIInChI=1S/C17H24O2/c1-8-10-14-13(9-2)16(5,6)11-17(14,7)19-15(18)12(3)4/h8-10H,2-3,11H2,1,4-7H3/b10-8-
InChIKeyORGUDOBIKGGJCT-NTMALXAHSA-N
MW260.38 g/mol
LogP4.35
Rot. Bonds4

About [3-ethenyl-1,4,4-trimethyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl] 2-methylprop-2-enoate

[3-ethenyl-1,4,4-trimethyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl] 2-methylprop-2-enoate (PubChem CID 134170354) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is [3-ethenyl-1,4,4-trimethyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-ethenyl-1,4,4-trimethyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl] 2-methylprop-2-enoate
PubChem CID134170354
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name[3-ethenyl-1,4,4-trimethyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl] 2-methylprop-2-enoate
SMILESC=CC1=C(/C=C\C)C(C)(OC(=O)C(=C)C)CC1(C)C
InChIInChI=1S/C17H24O2/c1-8-10-14-13(9-2)16(5,6)11-17(14,7)19-15(18)12(3)4/h8-10H,2-3,11H2,1,4-7H3/b10-8-
InChIKeyORGUDOBIKGGJCT-NTMALXAHSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.35
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 [3-ethenyl-1,4,4-trimethyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl] 2-methylprop-2-enoate?
The IUPAC name of [3-ethenyl-1,4,4-trimethyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl] 2-methylprop-2-enoate (CID 134170354) is [3-ethenyl-1,4,4-trimethyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-ethenyl-1,4,4-trimethyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl] 2-methylprop-2-enoate?
The canonical SMILES for [3-ethenyl-1,4,4-trimethyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl] 2-methylprop-2-enoate is C=CC1=C(/C=C\C)C(C)(OC(=O)C(=C)C)CC1(C)C.
What is the InChIKey of [3-ethenyl-1,4,4-trimethyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl] 2-methylprop-2-enoate?
The InChIKey is ORGUDOBIKGGJCT-NTMALXAHSA-N. The full InChI is InChI=1S/C17H24O2/c1-8-10-14-13(9-2)16(5,6)11-17(14,7)19-15(18)12(3)4/h8-10H,2-3,11H2,1,4-7H3/b10-8-.
What are the key properties of [3-ethenyl-1,4,4-trimethyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl] 2-methylprop-2-enoate?
[3-ethenyl-1,4,4-trimethyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl] 2-methylprop-2-enoate has a molecular weight of 260.38 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethenyl-1,4,4-trimethyl-2-[(Z)-prop-1-enyl]cyclopent-2-en-1-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 134170354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).