4-(3-ethyl-2-methylhept-2-enyl)-3'-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclobutane]

C18H30 — CID 91414169

IUPAC4-(3-ethyl-2-methylhept-2-enyl)-3'-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclobutane]
SMILESCCCCC(CC)=C(C)CC1C2C1C21CC(C)C1
InChIInChI=1S/C18H30/c1-5-7-8-14(6-2)13(4)9-15-16-17(15)18(16)10-12(3)11-18/h12,15-17H,5-11H2,1-4H3
InChIKeyOPBLJLJUQRTADW-UHFFFAOYSA-N
MW246.44 g/mol
LogP5.59
Rot. Bonds6

About 4-(3-ethyl-2-methylhept-2-enyl)-3'-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclobutane]

4-(3-ethyl-2-methylhept-2-enyl)-3'-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclobutane] (PubChem CID 91414169) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 4-(3-ethyl-2-methylhept-2-enyl)-3'-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclobutane].

Molecular Properties

Compound Name4-(3-ethyl-2-methylhept-2-enyl)-3'-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclobutane]
PubChem CID91414169
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name4-(3-ethyl-2-methylhept-2-enyl)-3'-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclobutane]
SMILESCCCCC(CC)=C(C)CC1C2C1C21CC(C)C1
InChIInChI=1S/C18H30/c1-5-7-8-14(6-2)13(4)9-15-16-17(15)18(16)10-12(3)11-18/h12,15-17H,5-11H2,1-4H3
InChIKeyOPBLJLJUQRTADW-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-(3-ethyl-2-methylhept-2-enyl)-3'-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclobutane] with MolForge

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Related Compounds

10-Trispiro[2.0.24.0.27.13]decan-10-ylidenetrispiro[2.0.24.0.27.13]decane
CID 2751845
1,4-Dibutyl-2-cyclopropylidenebicyclo[2.2.0]hexane
CID 91400089
1,2,3,4,5,6,7,8-Octacyclopropyltricyclo[4.2.0.02,5]octa-3,7-diene
CID 102588780
1-Butyl-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane
CID 12567931
8-Dispiro[2.1.25.13]octan-8-ylidenedispiro[2.1.25.13]octane
CID 85821107
2,4-Dimethyl-6-(2-methylcyclopropylidene)spiro[2.3]hexane
CID 53660330
3,5,6-Tributyltricyclo[2.2.0.02,6]hex-3-ene
CID 53886696
1-[[2-(2-Methylpropyl)cyclopropyl]methyl]-2-(3,4,6,6-tetramethyloctan-2-ylidene)cyclopropane
CID 90939456
1'-(13-Butyl-12-propylnonadecan-2-yl)-4-methylspiro[bicyclo[1.1.0]butane-2,3'-cyclopropene]
CID 91216386
2'-(2,3-Dimethylpent-2-enyl)-4-propan-2-ylspiro[bicyclo[1.1.0]butane-2,1'-cyclopropane]
CID 91245081
2-[5,7-Dimethyl-9-(2-methylcyclopropyl)decan-3-yl]bicyclo[1.1.0]but-1-ene
CID 91305725
2-Cyclopropyl-1-[1-(2,2-dimethylcyclopropylidene)ethyl]-1-methylcyclobutane
CID 91325934

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-2-methylhept-2-enyl)-3'-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclobutane]?
The IUPAC name of 4-(3-ethyl-2-methylhept-2-enyl)-3'-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclobutane] (CID 91414169) is 4-(3-ethyl-2-methylhept-2-enyl)-3'-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclobutane].
What is the SMILES notation for 4-(3-ethyl-2-methylhept-2-enyl)-3'-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclobutane]?
The canonical SMILES for 4-(3-ethyl-2-methylhept-2-enyl)-3'-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclobutane] is CCCCC(CC)=C(C)CC1C2C1C21CC(C)C1.
What is the InChIKey of 4-(3-ethyl-2-methylhept-2-enyl)-3'-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclobutane]?
The InChIKey is OPBLJLJUQRTADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-5-7-8-14(6-2)13(4)9-15-16-17(15)18(16)10-12(3)11-18/h12,15-17H,5-11H2,1-4H3.
What are the key properties of 4-(3-ethyl-2-methylhept-2-enyl)-3'-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclobutane]?
4-(3-ethyl-2-methylhept-2-enyl)-3'-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclobutane] has a molecular weight of 246.44 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-2-methylhept-2-enyl)-3'-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclobutane] is sourced from PubChem (CID 91414169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).