4-[1-[3-(7,8-dimethylnonyl)cyclobutyl]propan-2-yl]-2-[2-(2-methyl-2-propylcyclopropyl)cyclopropyl]tricyclo[2.1.0.01,3]pentane

C33H56 — CID 123240884

IUPAC4-[1-[3-(7,8-dimethylnonyl)cyclobutyl]propan-2-yl]-2-[2-(2-methyl-2-propylcyclopropyl)cyclopropyl]tricyclo[2.1.0.01,3]pentane
SMILESCCCC1(C)CC1C1CC1C1C2C3(C(C)CC4CC(CCCCCCC(C)C(C)C)C4)CC123
InChIInChI=1S/C33H56/c1-7-14-31(6)19-28(31)26-18-27(26)29-30-32(20-33(29,30)32)23(5)15-25-16-24(17-25)13-11-9-8-10-12-22(4)21(2)3/h21-30H,7-20H2,1-6H3
InChIKeyVSCWCWLYDTWVOW-UHFFFAOYSA-N
MW452.81 g/mol
LogP9.77
Rot. Bonds15

About 4-[1-[3-(7,8-dimethylnonyl)cyclobutyl]propan-2-yl]-2-[2-(2-methyl-2-propylcyclopropyl)cyclopropyl]tricyclo[2.1.0.01,3]pentane

4-[1-[3-(7,8-dimethylnonyl)cyclobutyl]propan-2-yl]-2-[2-(2-methyl-2-propylcyclopropyl)cyclopropyl]tricyclo[2.1.0.01,3]pentane (PubChem CID 123240884) has the molecular formula C33H56 and a molecular weight of 452.81 g/mol. Its IUPAC name is 4-[1-[3-(7,8-dimethylnonyl)cyclobutyl]propan-2-yl]-2-[2-(2-methyl-2-propylcyclopropyl)cyclopropyl]tricyclo[2.1.0.01,3]pentane.

Molecular Properties

Compound Name4-[1-[3-(7,8-dimethylnonyl)cyclobutyl]propan-2-yl]-2-[2-(2-methyl-2-propylcyclopropyl)cyclopropyl]tricyclo[2.1.0.01,3]pentane
PubChem CID123240884
Molecular FormulaC33H56
Molecular Weight452.81 g/mol
Exact Mass452.44
IUPAC Name4-[1-[3-(7,8-dimethylnonyl)cyclobutyl]propan-2-yl]-2-[2-(2-methyl-2-propylcyclopropyl)cyclopropyl]tricyclo[2.1.0.01,3]pentane
SMILESCCCC1(C)CC1C1CC1C1C2C3(C(C)CC4CC(CCCCCCC(C)C(C)C)C4)CC123
InChIInChI=1S/C33H56/c1-7-14-31(6)19-28(31)26-18-27(26)29-30-32(20-33(29,30)32)23(5)15-25-16-24(17-25)13-11-9-8-10-12-22(4)21(2)3/h21-30H,7-20H2,1-6H3
InChIKeyVSCWCWLYDTWVOW-UHFFFAOYSA-N
XLogP9.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.81
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-[1-[3-(7,8-dimethylnonyl)cyclobutyl]propan-2-yl]-2-[2-(2-methyl-2-propylcyclopropyl)cyclopropyl]tricyclo[2.1.0.01,3]pentane with MolForge

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Launch Full Analysis

Related Compounds

3-Fluoro-4-methyl-2-(3-methylbutan-2-yl)tricyclo[2.1.0.01,3]pentane
CID 154979729
Tert-butylcyclobutane;tert-butylcyclopentane;3-tert-butyl-1,1-difluorocyclobutane;1-tert-butyl-3-fluorocyclobutane;2,2-dimethylpropylcyclopropane;propan-2-ylcyclopropane
CID 160623258
1,2,7,8,9,10,11,12,13,14,15-Undecamethyl-1,7,11,13,15-penta(propan-2-yl)tetraspiro[2.0.0.0.36.25.24.23]pentadecane
CID 21277571
2-Cyclobutyl-1,8-dimethyl-2-propan-2-yldispiro[2.0.34.13]octane
CID 59850617
Cyclobutane;cyclobutylcyclobutane;cyclopropane;1-cyclopropyl-2-propan-2-ylcyclopropane;2,5-dimethylhexane;ethane;1-(2,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67-hexahexacontamethyloctahexacontan-2-yl)-2-(1-propan-2-ylcyclopropyl)cyclopropane;bis(2-methylpropane);2,2,4,4,5-pentamethylhexane;propane;propan-2-ylcyclopropane;2,2,3,3-tetramethylbutane;2,2,4-trimethylpentane
CID 90701121
1-Ethyl-4-methyl-9-[3-methyl-4-(5-methylspiro[2.2]pentan-2-yl)butyl]tricyclo[5.2.0.02,5]nonane
CID 90776358
2-[2-[3-(2-Butan-2-yl-5-methyl-5-bicyclo[2.1.0]pentanyl)-4-methylhexan-2-yl]cyclopropyl]-2-methyl-5,5-di(propan-2-yl)bicyclo[2.1.0]pentane
CID 90789008
2,5-Dimethyl-3-[(1,3,4-trimethyl-2-bicyclo[1.1.0]butanyl)methyl]bicyclo[2.1.0]pentane
CID 90798329
3-Ethyl-2,5-dimethyl-2-(2-methyl-1-propan-2-ylcyclopropyl)bicyclo[2.1.0]pentane
CID 90815022
2-Butan-2-yl-2,3-dimethyltricyclo[2.1.0.01,3]pentane
CID 90884004
2,3,4-Trimethyl-5-propyltricyclo[2.1.0.01,3]pentane
CID 90916489
2-[5-[3-[6-[2-[1-Cyclobutyl-2-[2-[3-[(2-ethyl-2,3-dimethylcyclopropyl)methyl]-2,3-dimethylpentyl]cyclobutyl]propyl]cyclobutyl]-4-ethyl-2,2,6-trimethylheptyl]cyclobutyl]-5-methylhexan-2-yl]-1,3-dimethylcyclobutane
CID 90917088

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(7,8-dimethylnonyl)cyclobutyl]propan-2-yl]-2-[2-(2-methyl-2-propylcyclopropyl)cyclopropyl]tricyclo[2.1.0.01,3]pentane?
The IUPAC name of 4-[1-[3-(7,8-dimethylnonyl)cyclobutyl]propan-2-yl]-2-[2-(2-methyl-2-propylcyclopropyl)cyclopropyl]tricyclo[2.1.0.01,3]pentane (CID 123240884) is 4-[1-[3-(7,8-dimethylnonyl)cyclobutyl]propan-2-yl]-2-[2-(2-methyl-2-propylcyclopropyl)cyclopropyl]tricyclo[2.1.0.01,3]pentane.
What is the SMILES notation for 4-[1-[3-(7,8-dimethylnonyl)cyclobutyl]propan-2-yl]-2-[2-(2-methyl-2-propylcyclopropyl)cyclopropyl]tricyclo[2.1.0.01,3]pentane?
The canonical SMILES for 4-[1-[3-(7,8-dimethylnonyl)cyclobutyl]propan-2-yl]-2-[2-(2-methyl-2-propylcyclopropyl)cyclopropyl]tricyclo[2.1.0.01,3]pentane is CCCC1(C)CC1C1CC1C1C2C3(C(C)CC4CC(CCCCCCC(C)C(C)C)C4)CC123.
What is the InChIKey of 4-[1-[3-(7,8-dimethylnonyl)cyclobutyl]propan-2-yl]-2-[2-(2-methyl-2-propylcyclopropyl)cyclopropyl]tricyclo[2.1.0.01,3]pentane?
The InChIKey is VSCWCWLYDTWVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H56/c1-7-14-31(6)19-28(31)26-18-27(26)29-30-32(20-33(29,30)32)23(5)15-25-16-24(17-25)13-11-9-8-10-12-22(4)21(2)3/h21-30H,7-20H2,1-6H3.
What are the key properties of 4-[1-[3-(7,8-dimethylnonyl)cyclobutyl]propan-2-yl]-2-[2-(2-methyl-2-propylcyclopropyl)cyclopropyl]tricyclo[2.1.0.01,3]pentane?
4-[1-[3-(7,8-dimethylnonyl)cyclobutyl]propan-2-yl]-2-[2-(2-methyl-2-propylcyclopropyl)cyclopropyl]tricyclo[2.1.0.01,3]pentane has a molecular weight of 452.81 g/mol, XLogP of 9.77, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(7,8-dimethylnonyl)cyclobutyl]propan-2-yl]-2-[2-(2-methyl-2-propylcyclopropyl)cyclopropyl]tricyclo[2.1.0.01,3]pentane is sourced from PubChem (CID 123240884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).