(Z)-(3-butylcyclopenta-2,4-dien-1-ylidene)methanolate

C10H13O- — CID 135042448

IUPAC(Z)-(3-butylcyclopenta-2,4-dien-1-ylidene)methanolate
SMILESCCCCC1=C/C(=C\[O-])C=C1
InChIInChI=1S/C10H14O/c1-2-3-4-9-5-6-10(7-9)8-11/h5-8,11H,2-4H2,1H3/p-1/b10-8-
InChIKeyGXPBFUIGXXFGOD-NTMALXAHSA-M
MW149.21 g/mol
LogP1.92
Rot. Bonds3

About (Z)-(3-butylcyclopenta-2,4-dien-1-ylidene)methanolate

(Z)-(3-butylcyclopenta-2,4-dien-1-ylidene)methanolate (PubChem CID 135042448) has the molecular formula C10H13O- and a molecular weight of 149.21 g/mol. Its IUPAC name is (Z)-(3-butylcyclopenta-2,4-dien-1-ylidene)methanolate.

Molecular Properties

Compound Name(Z)-(3-butylcyclopenta-2,4-dien-1-ylidene)methanolate
PubChem CID135042448
Molecular FormulaC10H13O-
Molecular Weight149.21 g/mol
Exact Mass149.10
IUPAC Name(Z)-(3-butylcyclopenta-2,4-dien-1-ylidene)methanolate
SMILESCCCCC1=C/C(=C\[O-])C=C1
InChIInChI=1S/C10H14O/c1-2-3-4-9-5-6-10(7-9)8-11/h5-8,11H,2-4H2,1H3/p-1/b10-8-
InChIKeyGXPBFUIGXXFGOD-NTMALXAHSA-M
XLogP1.92
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-(3-butylcyclopenta-2,4-dien-1-ylidene)methanolate?
The IUPAC name of (Z)-(3-butylcyclopenta-2,4-dien-1-ylidene)methanolate (CID 135042448) is (Z)-(3-butylcyclopenta-2,4-dien-1-ylidene)methanolate.
What is the SMILES notation for (Z)-(3-butylcyclopenta-2,4-dien-1-ylidene)methanolate?
The canonical SMILES for (Z)-(3-butylcyclopenta-2,4-dien-1-ylidene)methanolate is CCCCC1=C/C(=C\[O-])C=C1.
What is the InChIKey of (Z)-(3-butylcyclopenta-2,4-dien-1-ylidene)methanolate?
The InChIKey is GXPBFUIGXXFGOD-NTMALXAHSA-M. The full InChI is InChI=1S/C10H14O/c1-2-3-4-9-5-6-10(7-9)8-11/h5-8,11H,2-4H2,1H3/p-1/b10-8-.
What are the key properties of (Z)-(3-butylcyclopenta-2,4-dien-1-ylidene)methanolate?
(Z)-(3-butylcyclopenta-2,4-dien-1-ylidene)methanolate has a molecular weight of 149.21 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(3-butylcyclopenta-2,4-dien-1-ylidene)methanolate is sourced from PubChem (CID 135042448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).