1-butan-2-ylidene-2-ethylcyclopropane

C9H16 — CID 86134774

IUPAC1-butan-2-ylidene-2-ethylcyclopropane
SMILESCCC(C)=C1CC1CC
InChIInChI=1S/C9H16/c1-4-7(3)9-6-8(9)5-2/h8H,4-6H2,1-3H3
InChIKeyVDHOOWTUFWWFEL-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.14
Rot. Bonds2

About 1-butan-2-ylidene-2-ethylcyclopropane

1-butan-2-ylidene-2-ethylcyclopropane (PubChem CID 86134774) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1-butan-2-ylidene-2-ethylcyclopropane.

Molecular Properties

Compound Name1-butan-2-ylidene-2-ethylcyclopropane
PubChem CID86134774
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1-butan-2-ylidene-2-ethylcyclopropane
SMILESCCC(C)=C1CC1CC
InChIInChI=1S/C9H16/c1-4-7(3)9-6-8(9)5-2/h8H,4-6H2,1-3H3
InChIKeyVDHOOWTUFWWFEL-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
2,4-Dimethyl-3-isopropyl-2-pentene
CID 21721495
Cyclopropane, 1,1-dimethyl-2-(1-methylethenyl)-
CID 136890
3-Hexene, 2,5-dimethyl-3,4-bis(1-methylethyl)-
CID 138917
2,3,6-Trimethyl-2-heptene
CID 12714409
2,3,4-Trimethylhex-2-ene
CID 17861707
3-Ethyl-2,4-dimethyl-2-pentene
CID 21719812
4-Ethyl-2,3-dimethylhex-2-ene
CID 549716
1-Cyclopropylethylidenecyclopropane
CID 12718944
2-Cyclopropyl-2-penten
CID 144712
(3-Methylbut-2-en-2-yl)cyclopropane
CID 14226819
Hexan-2-ylidenecyclopropane
CID 23205847

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylidene-2-ethylcyclopropane?
The IUPAC name of 1-butan-2-ylidene-2-ethylcyclopropane (CID 86134774) is 1-butan-2-ylidene-2-ethylcyclopropane.
What is the SMILES notation for 1-butan-2-ylidene-2-ethylcyclopropane?
The canonical SMILES for 1-butan-2-ylidene-2-ethylcyclopropane is CCC(C)=C1CC1CC.
What is the InChIKey of 1-butan-2-ylidene-2-ethylcyclopropane?
The InChIKey is VDHOOWTUFWWFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-4-7(3)9-6-8(9)5-2/h8H,4-6H2,1-3H3.
What are the key properties of 1-butan-2-ylidene-2-ethylcyclopropane?
1-butan-2-ylidene-2-ethylcyclopropane 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 1-butan-2-ylidene-2-ethylcyclopropane is sourced from PubChem (CID 86134774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).