carbonic acid;1,2-dimethyl-1-prop-1-enylcyclopropane

C9H16O3 — CID 67682912

IUPACcarbonic acid;1,2-dimethyl-1-prop-1-enylcyclopropane
SMILESCC=CC1(C)CC1C.O=C(O)O
InChIInChI=1S/C8H14.CH2O3/c1-4-5-8(3)6-7(8)2;2-1(3)4/h4-5,7H,6H2,1-3H3;(H2,2,3,4)
InChIKeyFDVRPWWEVZCSSR-UHFFFAOYSA-N
MW172.22 g/mol
LogP2.83
Rot. Bonds1

About carbonic acid;1,2-dimethyl-1-prop-1-enylcyclopropane

carbonic acid;1,2-dimethyl-1-prop-1-enylcyclopropane (PubChem CID 67682912) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is carbonic acid;1,2-dimethyl-1-prop-1-enylcyclopropane.

Molecular Properties

Compound Namecarbonic acid;1,2-dimethyl-1-prop-1-enylcyclopropane
PubChem CID67682912
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Namecarbonic acid;1,2-dimethyl-1-prop-1-enylcyclopropane
SMILESCC=CC1(C)CC1C.O=C(O)O
InChIInChI=1S/C8H14.CH2O3/c1-4-5-8(3)6-7(8)2;2-1(3)4/h4-5,7H,6H2,1-3H3;(H2,2,3,4)
InChIKeyFDVRPWWEVZCSSR-UHFFFAOYSA-N
XLogP2.83
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 52.83
H-Bond Donors ≤ 52
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 carbonic acid;1,2-dimethyl-1-prop-1-enylcyclopropane?
The IUPAC name of carbonic acid;1,2-dimethyl-1-prop-1-enylcyclopropane (CID 67682912) is carbonic acid;1,2-dimethyl-1-prop-1-enylcyclopropane.
What is the SMILES notation for carbonic acid;1,2-dimethyl-1-prop-1-enylcyclopropane?
The canonical SMILES for carbonic acid;1,2-dimethyl-1-prop-1-enylcyclopropane is CC=CC1(C)CC1C.O=C(O)O.
What is the InChIKey of carbonic acid;1,2-dimethyl-1-prop-1-enylcyclopropane?
The InChIKey is FDVRPWWEVZCSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.CH2O3/c1-4-5-8(3)6-7(8)2;2-1(3)4/h4-5,7H,6H2,1-3H3;(H2,2,3,4).
What are the key properties of carbonic acid;1,2-dimethyl-1-prop-1-enylcyclopropane?
carbonic acid;1,2-dimethyl-1-prop-1-enylcyclopropane has a molecular weight of 172.22 g/mol, XLogP of 2.83, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1,2-dimethyl-1-prop-1-enylcyclopropane is sourced from PubChem (CID 67682912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).