carbonic acid;(2R)-1,1-dimethyl-2-propa-1,2-dienylcyclopropane

C9H14O3 — CID 88692615

IUPACcarbonic acid;(2R)-1,1-dimethyl-2-propa-1,2-dienylcyclopropane
SMILESC=C=C[C@H]1CC1(C)C.O=C(O)O
InChIInChI=1S/C8H12.CH2O3/c1-4-5-7-6-8(7,2)3;2-1(3)4/h5,7H,1,6H2,2-3H3;(H2,2,3,4)/t7-;/m0./s1
InChIKeyVKROEZDQVHOXNH-FJXQXJEOSA-N
MW170.21 g/mol
LogP2.60
Rot. Bonds1

About carbonic acid;(2R)-1,1-dimethyl-2-propa-1,2-dienylcyclopropane

carbonic acid;(2R)-1,1-dimethyl-2-propa-1,2-dienylcyclopropane (PubChem CID 88692615) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is carbonic acid;(2R)-1,1-dimethyl-2-propa-1,2-dienylcyclopropane.

Molecular Properties

Compound Namecarbonic acid;(2R)-1,1-dimethyl-2-propa-1,2-dienylcyclopropane
PubChem CID88692615
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Namecarbonic acid;(2R)-1,1-dimethyl-2-propa-1,2-dienylcyclopropane
SMILESC=C=C[C@H]1CC1(C)C.O=C(O)O
InChIInChI=1S/C8H12.CH2O3/c1-4-5-7-6-8(7,2)3;2-1(3)4/h5,7H,1,6H2,2-3H3;(H2,2,3,4)/t7-;/m0./s1
InChIKeyVKROEZDQVHOXNH-FJXQXJEOSA-N
XLogP2.60
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;(2R)-1,1-dimethyl-2-propa-1,2-dienylcyclopropane?
The IUPAC name of carbonic acid;(2R)-1,1-dimethyl-2-propa-1,2-dienylcyclopropane (CID 88692615) is carbonic acid;(2R)-1,1-dimethyl-2-propa-1,2-dienylcyclopropane.
What is the SMILES notation for carbonic acid;(2R)-1,1-dimethyl-2-propa-1,2-dienylcyclopropane?
The canonical SMILES for carbonic acid;(2R)-1,1-dimethyl-2-propa-1,2-dienylcyclopropane is C=C=C[C@H]1CC1(C)C.O=C(O)O.
What is the InChIKey of carbonic acid;(2R)-1,1-dimethyl-2-propa-1,2-dienylcyclopropane?
The InChIKey is VKROEZDQVHOXNH-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H12.CH2O3/c1-4-5-7-6-8(7,2)3;2-1(3)4/h5,7H,1,6H2,2-3H3;(H2,2,3,4)/t7-;/m0./s1.
What are the key properties of carbonic acid;(2R)-1,1-dimethyl-2-propa-1,2-dienylcyclopropane?
carbonic acid;(2R)-1,1-dimethyl-2-propa-1,2-dienylcyclopropane has a molecular weight of 170.21 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;(2R)-1,1-dimethyl-2-propa-1,2-dienylcyclopropane is sourced from PubChem (CID 88692615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).