4-methylpent-1-ene;propylidenecyclopropane

C12H22 — CID 173050388

IUPAC4-methylpent-1-ene;propylidenecyclopropane
SMILESC=CCC(C)C.CCC=C1CC1
InChIInChI=1S/C6H10.C6H12/c1-2-3-6-4-5-6;1-4-5-6(2)3/h3H,2,4-5H2,1H3;4,6H,1,5H2,2-3H3
InChIKeyAIGOQXRTCPCFKR-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.34
Rot. Bonds3

About 4-methylpent-1-ene;propylidenecyclopropane

4-methylpent-1-ene;propylidenecyclopropane (PubChem CID 173050388) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 4-methylpent-1-ene;propylidenecyclopropane.

Molecular Properties

Compound Name4-methylpent-1-ene;propylidenecyclopropane
PubChem CID173050388
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name4-methylpent-1-ene;propylidenecyclopropane
SMILESC=CCC(C)C.CCC=C1CC1
InChIInChI=1S/C6H10.C6H12/c1-2-3-6-4-5-6;1-4-5-6(2)3/h3H,2,4-5H2,1H3;4,6H,1,5H2,2-3H3
InChIKeyAIGOQXRTCPCFKR-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

but-1-ene;propylidenecyclopropane
CID 23054525
but-1-ene;4-methylpent-1-ene
CID 23001909
but-1-ene;4-methylpent-1-ene;prop-1-ene
CID 172806960
ethanol;4-methylpent-1-ene
CID 141289447
butane;2,7-dimethyloct-4-ene;4-methylpent-1-ene
CID 158518430
3-methylbutylidenecyclobutane
CID 123644555
2-methylpent-4-enylidenecyclohexane
CID 14296065
1,3-di(propylidene)cyclobutane
CID 123878518
but-1-ene;2-methylbutane
CID 142013560
pent-1-ene;pentylidenecyclopropane
CID 173050436
2-methylpentane;4-methylpent-1-ene;2-(2-methylpropyl)oxirane
CID 158851357
(4S,5S)-5-methyl-4-propan-2-ylhept-1-ene
CID 59039366

Frequently Asked Questions

What is the IUPAC name of 4-methylpent-1-ene;propylidenecyclopropane?
The IUPAC name of 4-methylpent-1-ene;propylidenecyclopropane (CID 173050388) is 4-methylpent-1-ene;propylidenecyclopropane.
What is the SMILES notation for 4-methylpent-1-ene;propylidenecyclopropane?
The canonical SMILES for 4-methylpent-1-ene;propylidenecyclopropane is C=CCC(C)C.CCC=C1CC1.
What is the InChIKey of 4-methylpent-1-ene;propylidenecyclopropane?
The InChIKey is AIGOQXRTCPCFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C6H12/c1-2-3-6-4-5-6;1-4-5-6(2)3/h3H,2,4-5H2,1H3;4,6H,1,5H2,2-3H3.
What are the key properties of 4-methylpent-1-ene;propylidenecyclopropane?
4-methylpent-1-ene;propylidenecyclopropane has a molecular weight of 166.31 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-1-ene;propylidenecyclopropane is sourced from PubChem (CID 173050388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).