2-[2-(cyclopropylmethyl)cyclopropyl]-3-[2-[3-(1,3-dimethylcyclobutyl)cyclobutylidene]-3-(2,3,6,7-tetramethyldec-7-enyl)cyclopropyl]-1-ethyl-1-methylcyclobutane

C41H68 — CID 123170683

IUPAC2-[2-(cyclopropylmethyl)cyclopropyl]-3-[2-[3-(1,3-dimethylcyclobutyl)cyclobutylidene]-3-(2,3,6,7-tetramethyldec-7-enyl)cyclopropyl]-1-ethyl-1-methylcyclobutane
SMILESCCC=C(C)C(C)CCC(C)C(C)CC1C(=C2CC(C3(C)CC(C)C3)C2)C1C1CC(C)(CC)C1C1CC1CC1CC1
InChIInChI=1S/C41H68/c1-10-12-26(4)27(5)13-14-28(6)29(7)17-35-37(32-19-33(20-32)41(9)22-25(3)23-41)38(35)36-24-40(8,11-2)39(36)34-21-31(34)18-30-15-16-30/h12,25,27-31,33-36,38-39H,10-11,13-24H2,1-9H3/b26-12?,37-32-
InChIKeyKRUJMCNQUKUOJL-WRNOFMFISA-N
MW561.00 g/mol
LogP12.30
Rot. Bonds14

About 2-[2-(cyclopropylmethyl)cyclopropyl]-3-[2-[3-(1,3-dimethylcyclobutyl)cyclobutylidene]-3-(2,3,6,7-tetramethyldec-7-enyl)cyclopropyl]-1-ethyl-1-methylcyclobutane

2-[2-(cyclopropylmethyl)cyclopropyl]-3-[2-[3-(1,3-dimethylcyclobutyl)cyclobutylidene]-3-(2,3,6,7-tetramethyldec-7-enyl)cyclopropyl]-1-ethyl-1-methylcyclobutane (PubChem CID 123170683) has the molecular formula C41H68 and a molecular weight of 561.00 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethyl)cyclopropyl]-3-[2-[3-(1,3-dimethylcyclobutyl)cyclobutylidene]-3-(2,3,6,7-tetramethyldec-7-enyl)cyclopropyl]-1-ethyl-1-methylcyclobutane.

Molecular Properties

Compound Name2-[2-(cyclopropylmethyl)cyclopropyl]-3-[2-[3-(1,3-dimethylcyclobutyl)cyclobutylidene]-3-(2,3,6,7-tetramethyldec-7-enyl)cyclopropyl]-1-ethyl-1-methylcyclobutane
PubChem CID123170683
Molecular FormulaC41H68
Molecular Weight561.00 g/mol
Exact Mass560.53
IUPAC Name2-[2-(cyclopropylmethyl)cyclopropyl]-3-[2-[3-(1,3-dimethylcyclobutyl)cyclobutylidene]-3-(2,3,6,7-tetramethyldec-7-enyl)cyclopropyl]-1-ethyl-1-methylcyclobutane
SMILESCCC=C(C)C(C)CCC(C)C(C)CC1C(=C2CC(C3(C)CC(C)C3)C2)C1C1CC(C)(CC)C1C1CC1CC1CC1
InChIInChI=1S/C41H68/c1-10-12-26(4)27(5)13-14-28(6)29(7)17-35-37(32-19-33(20-32)41(9)22-25(3)23-41)38(35)36-24-40(8,11-2)39(36)34-21-31(34)18-30-15-16-30/h12,25,27-31,33-36,38-39H,10-11,13-24H2,1-9H3/b26-12?,37-32-
InChIKeyKRUJMCNQUKUOJL-WRNOFMFISA-N
XLogP12.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.00
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[2-(cyclopropylmethyl)cyclopropyl]-3-[2-[3-(1,3-dimethylcyclobutyl)cyclobutylidene]-3-(2,3,6,7-tetramethyldec-7-enyl)cyclopropyl]-1-ethyl-1-methylcyclobutane with MolForge

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Related Compounds

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CID 5280437
(-)-Casbene
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3,7,11,15,15-Pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene
CID 439496
Macrophomene
CID 165368626
10-Trispiro[2.0.24.0.27.13]decan-10-ylidenetrispiro[2.0.24.0.27.13]decane
CID 2751845
3,7,11,15,15-Pentamethylbicyclo(12.1.0)pentadeca-2,6,10-triene
CID 6450251
1-(2,2-difluoropropyl)-2-ethyl-3-[(Z)-6-ethyl-8-methylnon-2-en-3-yl]bicyclo[1.1.0]butane
CID 166925535
2-[(5E,7E)-3-[[1-(2-fluoropropan-2-yl)cyclopropyl]methyl]-5-methyl-7-prop-1-en-2-ylnona-5,7-dien-4-yl]spiro[3.3]heptane
CID 170418639
(1S)-1-(3-methylbut-2-enyl)-2-[2-[(1R,2R)-2-[(8E)-4,9,13,17-tetramethyloctadeca-8,16-dienyl]cyclopropyl]ethyl]cyclopropane
CID 166593951
(1S,2E,6E,10E,14R)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene
CID 92000050
1,2,3,4,5,6,7,8-Octacyclopropyltricyclo[4.2.0.02,5]octa-3,7-diene
CID 102588780
(1R,2E,6E,10E)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene
CID 171362172

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethyl)cyclopropyl]-3-[2-[3-(1,3-dimethylcyclobutyl)cyclobutylidene]-3-(2,3,6,7-tetramethyldec-7-enyl)cyclopropyl]-1-ethyl-1-methylcyclobutane?
The IUPAC name of 2-[2-(cyclopropylmethyl)cyclopropyl]-3-[2-[3-(1,3-dimethylcyclobutyl)cyclobutylidene]-3-(2,3,6,7-tetramethyldec-7-enyl)cyclopropyl]-1-ethyl-1-methylcyclobutane (CID 123170683) is 2-[2-(cyclopropylmethyl)cyclopropyl]-3-[2-[3-(1,3-dimethylcyclobutyl)cyclobutylidene]-3-(2,3,6,7-tetramethyldec-7-enyl)cyclopropyl]-1-ethyl-1-methylcyclobutane.
What is the SMILES notation for 2-[2-(cyclopropylmethyl)cyclopropyl]-3-[2-[3-(1,3-dimethylcyclobutyl)cyclobutylidene]-3-(2,3,6,7-tetramethyldec-7-enyl)cyclopropyl]-1-ethyl-1-methylcyclobutane?
The canonical SMILES for 2-[2-(cyclopropylmethyl)cyclopropyl]-3-[2-[3-(1,3-dimethylcyclobutyl)cyclobutylidene]-3-(2,3,6,7-tetramethyldec-7-enyl)cyclopropyl]-1-ethyl-1-methylcyclobutane is CCC=C(C)C(C)CCC(C)C(C)CC1C(=C2CC(C3(C)CC(C)C3)C2)C1C1CC(C)(CC)C1C1CC1CC1CC1.
What is the InChIKey of 2-[2-(cyclopropylmethyl)cyclopropyl]-3-[2-[3-(1,3-dimethylcyclobutyl)cyclobutylidene]-3-(2,3,6,7-tetramethyldec-7-enyl)cyclopropyl]-1-ethyl-1-methylcyclobutane?
The InChIKey is KRUJMCNQUKUOJL-WRNOFMFISA-N. The full InChI is InChI=1S/C41H68/c1-10-12-26(4)27(5)13-14-28(6)29(7)17-35-37(32-19-33(20-32)41(9)22-25(3)23-41)38(35)36-24-40(8,11-2)39(36)34-21-31(34)18-30-15-16-30/h12,25,27-31,33-36,38-39H,10-11,13-24H2,1-9H3/b26-12?,37-32-.
What are the key properties of 2-[2-(cyclopropylmethyl)cyclopropyl]-3-[2-[3-(1,3-dimethylcyclobutyl)cyclobutylidene]-3-(2,3,6,7-tetramethyldec-7-enyl)cyclopropyl]-1-ethyl-1-methylcyclobutane?
2-[2-(cyclopropylmethyl)cyclopropyl]-3-[2-[3-(1,3-dimethylcyclobutyl)cyclobutylidene]-3-(2,3,6,7-tetramethyldec-7-enyl)cyclopropyl]-1-ethyl-1-methylcyclobutane has a molecular weight of 561.00 g/mol, XLogP of 12.30, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylmethyl)cyclopropyl]-3-[2-[3-(1,3-dimethylcyclobutyl)cyclobutylidene]-3-(2,3,6,7-tetramethyldec-7-enyl)cyclopropyl]-1-ethyl-1-methylcyclobutane is sourced from PubChem (CID 123170683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).