(4Z,5Z)-4,5-di(ethylidene)-3-methoxycyclopent-2-en-1-one

C10H12O2 — CID 101054185

IUPAC(4Z,5Z)-4,5-di(ethylidene)-3-methoxycyclopent-2-en-1-one
SMILESC/C=C1\C(=O)C=C(OC)\C1=C/C
InChIInChI=1S/C10H12O2/c1-4-7-8(5-2)10(12-3)6-9(7)11/h4-6H,1-3H3/b7-4-,8-5-
InChIKeyOTENMKFTCOBVIY-IUNAMMOKSA-N
MW164.20 g/mol
LogP1.99
Rot. Bonds1

About (4Z,5Z)-4,5-di(ethylidene)-3-methoxycyclopent-2-en-1-one

(4Z,5Z)-4,5-di(ethylidene)-3-methoxycyclopent-2-en-1-one (PubChem CID 101054185) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (4Z,5Z)-4,5-di(ethylidene)-3-methoxycyclopent-2-en-1-one.

Molecular Properties

Compound Name(4Z,5Z)-4,5-di(ethylidene)-3-methoxycyclopent-2-en-1-one
PubChem CID101054185
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(4Z,5Z)-4,5-di(ethylidene)-3-methoxycyclopent-2-en-1-one
SMILESC/C=C1\C(=O)C=C(OC)\C1=C/C
InChIInChI=1S/C10H12O2/c1-4-7-8(5-2)10(12-3)6-9(7)11/h4-6H,1-3H3/b7-4-,8-5-
InChIKeyOTENMKFTCOBVIY-IUNAMMOKSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.99
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 (4Z,5Z)-4,5-di(ethylidene)-3-methoxycyclopent-2-en-1-one?
The IUPAC name of (4Z,5Z)-4,5-di(ethylidene)-3-methoxycyclopent-2-en-1-one (CID 101054185) is (4Z,5Z)-4,5-di(ethylidene)-3-methoxycyclopent-2-en-1-one.
What is the SMILES notation for (4Z,5Z)-4,5-di(ethylidene)-3-methoxycyclopent-2-en-1-one?
The canonical SMILES for (4Z,5Z)-4,5-di(ethylidene)-3-methoxycyclopent-2-en-1-one is C/C=C1\C(=O)C=C(OC)\C1=C/C.
What is the InChIKey of (4Z,5Z)-4,5-di(ethylidene)-3-methoxycyclopent-2-en-1-one?
The InChIKey is OTENMKFTCOBVIY-IUNAMMOKSA-N. The full InChI is InChI=1S/C10H12O2/c1-4-7-8(5-2)10(12-3)6-9(7)11/h4-6H,1-3H3/b7-4-,8-5-.
What are the key properties of (4Z,5Z)-4,5-di(ethylidene)-3-methoxycyclopent-2-en-1-one?
(4Z,5Z)-4,5-di(ethylidene)-3-methoxycyclopent-2-en-1-one has a molecular weight of 164.20 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5Z)-4,5-di(ethylidene)-3-methoxycyclopent-2-en-1-one is sourced from PubChem (CID 101054185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).