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

C32H56 — CID 90789008

IUPAC2-[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
SMILESCCC(C)C1CC2C1C2(C)C(C(C)CC)C(C)C1CC1C1(C)CC2C1C2(C(C)C)C(C)C
InChIInChI=1S/C32H56/c1-12-19(7)22-14-25-28(22)31(25,11)27(20(8)13-2)21(9)23-15-24(23)30(10)16-26-29(30)32(26,17(3)4)18(5)6/h17-29H,12-16H2,1-11H3
InChIKeyVCVGSCOCEWLVFX-UHFFFAOYSA-N
MW440.80 g/mol
LogP9.19
Rot. Bonds10

About 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

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 (PubChem CID 90789008) has the molecular formula C32H56 and a molecular weight of 440.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID90789008
Molecular FormulaC32H56
Molecular Weight440.80 g/mol
Exact Mass440.44
IUPAC Name2-[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
SMILESCCC(C)C1CC2C1C2(C)C(C(C)CC)C(C)C1CC1C1(C)CC2C1C2(C(C)C)C(C)C
InChIInChI=1S/C32H56/c1-12-19(7)22-14-25-28(22)31(25,11)27(20(8)13-2)21(9)23-15-24(23)30(10)16-26-29(30)32(26,17(3)4)18(5)6/h17-29H,12-16H2,1-11H3
InChIKeyVCVGSCOCEWLVFX-UHFFFAOYSA-N
XLogP9.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.80
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

Tricyclo[3.1.0.0(2,4)]hexane, 3,3,6,6-tetramethyl-, (1alpha,2beta,4beta,5alpha)-
CID 578271
Tricyclo[3.1.0.0(2,4)]hexane, 3,3,6,6-tetracyclopropyl-
CID 561667
Tricyclo[3.1.0.0(2,4)]hexane, 3,3,6,6-tetraethyl-,trans--
CID 572173
3,6-Dicyclopropyl-3,6-dimethyltricyclo[3.1.0.02,4]hexane
CID 14397431
1,1-Difluoro-3-methylcyclobutane;1,1-dimethylcyclopentane;1-(2,2-dimethylpropyl)-3-methylcyclobutane;methylcyclopentane;1-methyl-1-(2-methylpropyl)cyclopropane;1,1,2,2,3-pentamethylcyclopropane;1,1,3-trimethylcyclobutane
CID 160649836
Dispiro[cyclobutane-1,3-tricyclo[3.1.0.02,4]hexane-6,1-cyclobutane] (9CI)
CID 14528607
7,7-Dimethyltetracyclo[3.2.0.01,6.02,6]heptane
CID 85727943
Tricyclo[3.1.0.0(2,4)]hexane, 3,6-diethyl-3,6-dimethyl-, trans-
CID 572349
1,2,3,4,5,6,7,8-Octaethylpentacyclo[3.3.0.02,4.03,7.06,8]octane
CID 100929224
(4R,5R)-3-butan-2-yl-3,6-dimethyl-6-(1-methylcyclopropyl)tricyclo[3.1.0.02,4]hexane
CID 58965477
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
(4S,5S)-3-butan-2-yl-3,6-dimethyl-6-(1-methylcyclopropyl)tricyclo[3.1.0.02,4]hexane
CID 90788464

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(C)C1CC2C1C2(C)C(C(C)CC)C(C)C1CC1C1(C)CC2C1C2(C(C)C)C(C)C.
What is the InChIKey of 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?
The InChIKey is VCVGSCOCEWLVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56/c1-12-19(7)22-14-25-28(22)31(25,11)27(20(8)13-2)21(9)23-15-24(23)30(10)16-26-29(30)32(26,17(3)4)18(5)6/h17-29H,12-16H2,1-11H3.
What are the key properties of 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?
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 has a molecular weight of 440.80 g/mol, XLogP of 9.19, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90789008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).