carbonic acid;ethenylcyclopropane

C6H10O3 — CID 67913452

IUPACcarbonic acid;ethenylcyclopropane
SMILESC=CC1CC1.O=C(O)O
InChIInChI=1S/C5H8.CH2O3/c1-2-5-3-4-5;2-1(3)4/h2,5H,1,3-4H2;(H2,2,3,4)
InChIKeyHTMQVDALMBQAFK-UHFFFAOYSA-N
MW130.14 g/mol
LogP1.80
Rot. Bonds1

About carbonic acid;ethenylcyclopropane

carbonic acid;ethenylcyclopropane (PubChem CID 67913452) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is carbonic acid;ethenylcyclopropane.

Molecular Properties

Compound Namecarbonic acid;ethenylcyclopropane
PubChem CID67913452
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Namecarbonic acid;ethenylcyclopropane
SMILESC=CC1CC1.O=C(O)O
InChIInChI=1S/C5H8.CH2O3/c1-2-5-3-4-5;2-1(3)4/h2,5H,1,3-4H2;(H2,2,3,4)
InChIKeyHTMQVDALMBQAFK-UHFFFAOYSA-N
XLogP1.80
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Carbonic acid;hexa-1,5-diene
CID 19983441
Carbonic acid;prop-2-enylcyclopropane
CID 67833665
Carbonic acid;3-methylbut-1-ene
CID 88489875
Carbonic acid;propa-1,2-dienylcyclopropane
CID 88691993
Carbonic acid;3-methylpenta-1,4-diene
CID 89235756
Carbonic acid;4-methylpent-1-ene
CID 158555652
Ethenylcyclopropane;formic acid
CID 158977485
Carbonic acid;3-methylpent-1-ene
CID 160180386
Acetic acid;ethenylcyclopropane
CID 176136941

Frequently Asked Questions

What is the IUPAC name of carbonic acid;ethenylcyclopropane?
The IUPAC name of carbonic acid;ethenylcyclopropane (CID 67913452) is carbonic acid;ethenylcyclopropane.
What is the SMILES notation for carbonic acid;ethenylcyclopropane?
The canonical SMILES for carbonic acid;ethenylcyclopropane is C=CC1CC1.O=C(O)O.
What is the InChIKey of carbonic acid;ethenylcyclopropane?
The InChIKey is HTMQVDALMBQAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8.CH2O3/c1-2-5-3-4-5;2-1(3)4/h2,5H,1,3-4H2;(H2,2,3,4).
What are the key properties of carbonic acid;ethenylcyclopropane?
carbonic acid;ethenylcyclopropane has a molecular weight of 130.14 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;ethenylcyclopropane is sourced from PubChem (CID 67913452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).