(Z)-methoxy-(3-propan-2-ylcyclopenta-2,4-dien-1-ylidene)methanolate

C10H13O2- — CID 138970394

IUPAC(Z)-methoxy-(3-propan-2-ylcyclopenta-2,4-dien-1-ylidene)methanolate
SMILESCO/C([O-])=C1/C=CC(C(C)C)=C1
InChIInChI=1S/C10H14O2/c1-7(2)8-4-5-9(6-8)10(11)12-3/h4-7,11H,1-3H3/p-1/b10-9-
InChIKeyGCYHCOPFYVVKFG-KTKRTIGZSA-M
MW165.21 g/mol
LogP1.36
Rot. Bonds2

About (Z)-methoxy-(3-propan-2-ylcyclopenta-2,4-dien-1-ylidene)methanolate

(Z)-methoxy-(3-propan-2-ylcyclopenta-2,4-dien-1-ylidene)methanolate (PubChem CID 138970394) has the molecular formula C10H13O2- and a molecular weight of 165.21 g/mol. Its IUPAC name is (Z)-methoxy-(3-propan-2-ylcyclopenta-2,4-dien-1-ylidene)methanolate.

Molecular Properties

Compound Name(Z)-methoxy-(3-propan-2-ylcyclopenta-2,4-dien-1-ylidene)methanolate
PubChem CID138970394
Molecular FormulaC10H13O2-
Molecular Weight165.21 g/mol
Exact Mass165.09
IUPAC Name(Z)-methoxy-(3-propan-2-ylcyclopenta-2,4-dien-1-ylidene)methanolate
SMILESCO/C([O-])=C1/C=CC(C(C)C)=C1
InChIInChI=1S/C10H14O2/c1-7(2)8-4-5-9(6-8)10(11)12-3/h4-7,11H,1-3H3/p-1/b10-9-
InChIKeyGCYHCOPFYVVKFG-KTKRTIGZSA-M
XLogP1.36
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclopenta-2,4-dien-1-ylidene(methoxy)methanolate
CID 11987089
Lithium carbomethoxycyclopentadienide
CID 129671640
Sodium carbomethoxycyclopentadienide
CID 23718598
5-(Dimethoxymethylidene)cyclopenta-1,3-diene
CID 12727424
Cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate
CID 12481623
(E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxyprop-1-en-1-olate
CID 12545700
(4-Cyclopenta-2,4-dien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-ethoxymethanolate
CID 13145380
Sodium carboethoxycyclopentadienide
CID 23697899
1,1-Dimethoxy-carbonyl-2-phenylethene
CID 129764426
Dimethoxymethylenecyclohexadiene
CID 129819844
(1E,3E)-5-cyclopenta-2,4-dien-1-ylidene-1-ethoxypenta-1,3-dien-1-olate
CID 135042477
(E,3E)-1-ethoxy-3-(3-ethylcyclopenta-2,4-dien-1-ylidene)prop-1-en-1-olate
CID 135042523

Frequently Asked Questions

What is the IUPAC name of (Z)-methoxy-(3-propan-2-ylcyclopenta-2,4-dien-1-ylidene)methanolate?
The IUPAC name of (Z)-methoxy-(3-propan-2-ylcyclopenta-2,4-dien-1-ylidene)methanolate (CID 138970394) is (Z)-methoxy-(3-propan-2-ylcyclopenta-2,4-dien-1-ylidene)methanolate.
What is the SMILES notation for (Z)-methoxy-(3-propan-2-ylcyclopenta-2,4-dien-1-ylidene)methanolate?
The canonical SMILES for (Z)-methoxy-(3-propan-2-ylcyclopenta-2,4-dien-1-ylidene)methanolate is CO/C([O-])=C1/C=CC(C(C)C)=C1.
What is the InChIKey of (Z)-methoxy-(3-propan-2-ylcyclopenta-2,4-dien-1-ylidene)methanolate?
The InChIKey is GCYHCOPFYVVKFG-KTKRTIGZSA-M. The full InChI is InChI=1S/C10H14O2/c1-7(2)8-4-5-9(6-8)10(11)12-3/h4-7,11H,1-3H3/p-1/b10-9-.
What are the key properties of (Z)-methoxy-(3-propan-2-ylcyclopenta-2,4-dien-1-ylidene)methanolate?
(Z)-methoxy-(3-propan-2-ylcyclopenta-2,4-dien-1-ylidene)methanolate has a molecular weight of 165.21 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-methoxy-(3-propan-2-ylcyclopenta-2,4-dien-1-ylidene)methanolate is sourced from PubChem (CID 138970394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).