4-methylpent-1-yn-3-ylidenecyclopropane

C9H12 — CID 91494702

IUPAC4-methylpent-1-yn-3-ylidenecyclopropane
SMILESC#CC(=C1CC1)C(C)C
InChIInChI=1S/C9H12/c1-4-9(7(2)3)8-5-6-8/h1,7H,5-6H2,2-3H3
InChIKeyMATDXBDVGVPVMP-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.37
Rot. Bonds1

About 4-methylpent-1-yn-3-ylidenecyclopropane

4-methylpent-1-yn-3-ylidenecyclopropane (PubChem CID 91494702) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 4-methylpent-1-yn-3-ylidenecyclopropane.

Molecular Properties

Compound Name4-methylpent-1-yn-3-ylidenecyclopropane
PubChem CID91494702
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name4-methylpent-1-yn-3-ylidenecyclopropane
SMILESC#CC(=C1CC1)C(C)C
InChIInChI=1S/C9H12/c1-4-9(7(2)3)8-5-6-8/h1,7H,5-6H2,2-3H3
InChIKeyMATDXBDVGVPVMP-UHFFFAOYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Hexen-4-yne, 2-methyl-3-(1-methylethyl)-
CID 144376
(Z)-4,5-dimethyloct-4-en-1,7-diyne
CID 13442495
3-Penten-1-yne, 4-methyl-3-(1-methylethyl)-
CID 143840
1-(3-Isopropyl-4-methyl-pent-3-en-1-ynyl)-1-methyl-cyclopropane
CID 600571
(3E)-3,4-Diisopropyl-3-hexene-1,5-diyne
CID 5373663
(E)-3-ethyl-4-methylhept-3-en-1,5-diyne
CID 59189068
(E)-6-ethyl-5-methylundec-5-en-1,3,7,9-tetrayne
CID 59901506
3,4-Dimethylhex-3-en-1-yne
CID 71373623
3,4-Diethylhex-3-ene-1,5-diyne
CID 71403157
3-Methylbutan-2-ylidenecyclopropane
CID 90920021
(Z)-3,4-diethylhex-3-en-1,5-diyne
CID 91999099
4,5,6-Trimethyloct-5-en-2-yne
CID 123151488

Frequently Asked Questions

What is the IUPAC name of 4-methylpent-1-yn-3-ylidenecyclopropane?
The IUPAC name of 4-methylpent-1-yn-3-ylidenecyclopropane (CID 91494702) is 4-methylpent-1-yn-3-ylidenecyclopropane.
What is the SMILES notation for 4-methylpent-1-yn-3-ylidenecyclopropane?
The canonical SMILES for 4-methylpent-1-yn-3-ylidenecyclopropane is C#CC(=C1CC1)C(C)C.
What is the InChIKey of 4-methylpent-1-yn-3-ylidenecyclopropane?
The InChIKey is MATDXBDVGVPVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-4-9(7(2)3)8-5-6-8/h1,7H,5-6H2,2-3H3.
What are the key properties of 4-methylpent-1-yn-3-ylidenecyclopropane?
4-methylpent-1-yn-3-ylidenecyclopropane has a molecular weight of 120.19 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-1-yn-3-ylidenecyclopropane is sourced from PubChem (CID 91494702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).