1,2-dimethyl-3-prop-1-en-2-ylcyclopropane

C8H13- — CID 91261810

IUPAC1,2-dimethyl-3-prop-1-en-2-ylcyclopropane
SMILESC=C([CH2-])C1C(C)C1C
InChIInChI=1S/C8H13/c1-5(2)8-6(3)7(8)4/h6-8H,1-2H2,3-4H3/q-1
InChIKeyJMSPVDCOTCYCQH-UHFFFAOYSA-N
MW109.19 g/mol
LogP2.28
Rot. Bonds1

About 1,2-dimethyl-3-prop-1-en-2-ylcyclopropane

1,2-dimethyl-3-prop-1-en-2-ylcyclopropane (PubChem CID 91261810) has the molecular formula C8H13- and a molecular weight of 109.19 g/mol. Its IUPAC name is 1,2-dimethyl-3-prop-1-en-2-ylcyclopropane.

Molecular Properties

Compound Name1,2-dimethyl-3-prop-1-en-2-ylcyclopropane
PubChem CID91261810
Molecular FormulaC8H13-
Molecular Weight109.19 g/mol
Exact Mass109.10
IUPAC Name1,2-dimethyl-3-prop-1-en-2-ylcyclopropane
SMILESC=C([CH2-])C1C(C)C1C
InChIInChI=1S/C8H13/c1-5(2)8-6(3)7(8)4/h6-8H,1-2H2,3-4H3/q-1
InChIKeyJMSPVDCOTCYCQH-UHFFFAOYSA-N
XLogP2.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.19
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-but-1-en-2-yl-2,3,4,5,6-pentamethylcyclohexane
CID 123501485
2-methanidylprop-1-ene
CID 102023417
2-methanidylprop-1-ene;nickel
CID 173298029
1,2,3-trimethyl-4-(2-methylpropyl)-5,6-bis(prop-1-en-2-yl)cyclohexane
CID 123941288
1,2,4-trimethyl-3-prop-1-en-2-ylcyclohexane
CID 91552917
(2S,3R)-2-methyl-3-prop-1-en-2-ylbicyclo[2.2.2]octane
CID 142078311
CID 177462464
CID 177462464
1,2,3,4,5,6,7-heptamethylcycloheptane
CID 58641136
(2R)-2,3-dimethylcyclopropan-1-ol
CID 173306707
1-(2,3,4,5,6-pentamethylcyclohexyl)ethanimine
CID 91338330
2,3-dimethylcyclopropane-1-carbohydrazide
CID 141209160
methanol;methylcyclopentane;prop-1-en-2-ol
CID 142006144

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-prop-1-en-2-ylcyclopropane?
The IUPAC name of 1,2-dimethyl-3-prop-1-en-2-ylcyclopropane (CID 91261810) is 1,2-dimethyl-3-prop-1-en-2-ylcyclopropane.
What is the SMILES notation for 1,2-dimethyl-3-prop-1-en-2-ylcyclopropane?
The canonical SMILES for 1,2-dimethyl-3-prop-1-en-2-ylcyclopropane is C=C([CH2-])C1C(C)C1C.
What is the InChIKey of 1,2-dimethyl-3-prop-1-en-2-ylcyclopropane?
The InChIKey is JMSPVDCOTCYCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13/c1-5(2)8-6(3)7(8)4/h6-8H,1-2H2,3-4H3/q-1.
What are the key properties of 1,2-dimethyl-3-prop-1-en-2-ylcyclopropane?
1,2-dimethyl-3-prop-1-en-2-ylcyclopropane has a molecular weight of 109.19 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-prop-1-en-2-ylcyclopropane is sourced from PubChem (CID 91261810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).