3-methylpentan-2-ylidenecyclopropane

C9H16 — CID 91519541

IUPAC3-methylpentan-2-ylidenecyclopropane
SMILESCCC(C)C(C)=C1CC1
InChIInChI=1S/C9H16/c1-4-7(2)8(3)9-5-6-9/h7H,4-6H2,1-3H3
InChIKeyWIVQVIQKAPVGES-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.14
Rot. Bonds2

About 3-methylpentan-2-ylidenecyclopropane

3-methylpentan-2-ylidenecyclopropane (PubChem CID 91519541) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 3-methylpentan-2-ylidenecyclopropane.

Molecular Properties

Compound Name3-methylpentan-2-ylidenecyclopropane
PubChem CID91519541
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name3-methylpentan-2-ylidenecyclopropane
SMILESCCC(C)C(C)=C1CC1
InChIInChI=1S/C9H16/c1-4-7(2)8(3)9-5-6-9/h7H,4-6H2,1-3H3
InChIKeyWIVQVIQKAPVGES-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.14
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

2,3,5-Trimethyl-2-hexene
CID 14713429
2,3,4-Trimethylhex-2-ene
CID 17861707
2,3,4-Trimethylhept-2-ene
CID 22996828
4-Ethyl-2,3-dimethylhex-2-ene
CID 549716
1-Cyclopropylethylidenecyclopropane
CID 12718944
(3-Methylbut-2-en-2-yl)cyclopropane
CID 14226819
Hexan-2-ylidenecyclopropane
CID 23205847
1,2,3-Trimethylcycloprop-1-ene
CID 53896671
2,4,5,7-Tetramethyloct-4-ene
CID 59877989
2,3,4,5,6-Pentamethyl-3-heptene
CID 90954370
Propane, 2-(2-isopropylidene-3-methylcyclopropyl)-, cis-
CID 32478
Cyclopropane, 1-methyl-2-(1-methylethyl)-3-(1-methylethylidene)-, cis-
CID 91694343

Frequently Asked Questions

What is the IUPAC name of 3-methylpentan-2-ylidenecyclopropane?
The IUPAC name of 3-methylpentan-2-ylidenecyclopropane (CID 91519541) is 3-methylpentan-2-ylidenecyclopropane.
What is the SMILES notation for 3-methylpentan-2-ylidenecyclopropane?
The canonical SMILES for 3-methylpentan-2-ylidenecyclopropane is CCC(C)C(C)=C1CC1.
What is the InChIKey of 3-methylpentan-2-ylidenecyclopropane?
The InChIKey is WIVQVIQKAPVGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-4-7(2)8(3)9-5-6-9/h7H,4-6H2,1-3H3.
What are the key properties of 3-methylpentan-2-ylidenecyclopropane?
3-methylpentan-2-ylidenecyclopropane has a molecular weight of 124.23 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentan-2-ylidenecyclopropane is sourced from PubChem (CID 91519541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).