3-(cyclopent-2-en-1-ylmethoxymethyl)cyclopentene

C12H18O — CID 175396125

IUPAC3-(cyclopent-2-en-1-ylmethoxymethyl)cyclopentene
SMILESC1=CC(COCC2C=CCC2)CC1
InChIInChI=1S/C12H18O/c1-2-6-11(5-1)9-13-10-12-7-3-4-8-12/h1,3,5,7,11-12H,2,4,6,8-10H2
InChIKeyWSINRCPGTCMBNZ-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.94
Rot. Bonds4

About 3-(cyclopent-2-en-1-ylmethoxymethyl)cyclopentene

3-(cyclopent-2-en-1-ylmethoxymethyl)cyclopentene (PubChem CID 175396125) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-(cyclopent-2-en-1-ylmethoxymethyl)cyclopentene.

Molecular Properties

Compound Name3-(cyclopent-2-en-1-ylmethoxymethyl)cyclopentene
PubChem CID175396125
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name3-(cyclopent-2-en-1-ylmethoxymethyl)cyclopentene
SMILESC1=CC(COCC2C=CCC2)CC1
InChIInChI=1S/C12H18O/c1-2-6-11(5-1)9-13-10-12-7-3-4-8-12/h1,3,5,7,11-12H,2,4,6,8-10H2
InChIKeyWSINRCPGTCMBNZ-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopent-2-en-1-ylmethoxymethyl)cyclopentene?
The IUPAC name of 3-(cyclopent-2-en-1-ylmethoxymethyl)cyclopentene (CID 175396125) is 3-(cyclopent-2-en-1-ylmethoxymethyl)cyclopentene.
What is the SMILES notation for 3-(cyclopent-2-en-1-ylmethoxymethyl)cyclopentene?
The canonical SMILES for 3-(cyclopent-2-en-1-ylmethoxymethyl)cyclopentene is C1=CC(COCC2C=CCC2)CC1.
What is the InChIKey of 3-(cyclopent-2-en-1-ylmethoxymethyl)cyclopentene?
The InChIKey is WSINRCPGTCMBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-2-6-11(5-1)9-13-10-12-7-3-4-8-12/h1,3,5,7,11-12H,2,4,6,8-10H2.
What are the key properties of 3-(cyclopent-2-en-1-ylmethoxymethyl)cyclopentene?
3-(cyclopent-2-en-1-ylmethoxymethyl)cyclopentene has a molecular weight of 178.28 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopent-2-en-1-ylmethoxymethyl)cyclopentene is sourced from PubChem (CID 175396125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).