5-(cyclopenta-2,4-dien-1-ylmethoxymethyl)cyclopenta-1,3-diene

C12H14O — CID 12983589

IUPAC5-(cyclopenta-2,4-dien-1-ylmethoxymethyl)cyclopenta-1,3-diene
SMILESC1=CC(COCC2C=CC=C2)C=C1
InChIInChI=1S/C12H14O/c1-2-6-11(5-1)9-13-10-12-7-3-4-8-12/h1-8,11-12H,9-10H2
InChIKeyVBAHSPKUEILDMB-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.49
Rot. Bonds4

About 5-(cyclopenta-2,4-dien-1-ylmethoxymethyl)cyclopenta-1,3-diene

5-(cyclopenta-2,4-dien-1-ylmethoxymethyl)cyclopenta-1,3-diene (PubChem CID 12983589) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 5-(cyclopenta-2,4-dien-1-ylmethoxymethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(cyclopenta-2,4-dien-1-ylmethoxymethyl)cyclopenta-1,3-diene
PubChem CID12983589
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name5-(cyclopenta-2,4-dien-1-ylmethoxymethyl)cyclopenta-1,3-diene
SMILESC1=CC(COCC2C=CC=C2)C=C1
InChIInChI=1S/C12H14O/c1-2-6-11(5-1)9-13-10-12-7-3-4-8-12/h1-8,11-12H,9-10H2
InChIKeyVBAHSPKUEILDMB-UHFFFAOYSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopenta-2,4-dien-1-ylmethoxymethyl)cyclopenta-1,3-diene?
The IUPAC name of 5-(cyclopenta-2,4-dien-1-ylmethoxymethyl)cyclopenta-1,3-diene (CID 12983589) is 5-(cyclopenta-2,4-dien-1-ylmethoxymethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 5-(cyclopenta-2,4-dien-1-ylmethoxymethyl)cyclopenta-1,3-diene?
The canonical SMILES for 5-(cyclopenta-2,4-dien-1-ylmethoxymethyl)cyclopenta-1,3-diene is C1=CC(COCC2C=CC=C2)C=C1.
What is the InChIKey of 5-(cyclopenta-2,4-dien-1-ylmethoxymethyl)cyclopenta-1,3-diene?
The InChIKey is VBAHSPKUEILDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-2-6-11(5-1)9-13-10-12-7-3-4-8-12/h1-8,11-12H,9-10H2.
What are the key properties of 5-(cyclopenta-2,4-dien-1-ylmethoxymethyl)cyclopenta-1,3-diene?
5-(cyclopenta-2,4-dien-1-ylmethoxymethyl)cyclopenta-1,3-diene has a molecular weight of 174.24 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopenta-2,4-dien-1-ylmethoxymethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 12983589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).