1-methyl-2'-[2,3,4,7-tetramethyl-8-(3-methyl-2-propyl-1-bicyclo[1.1.0]butanyl)-3-pentan-2-yloctyl]spiro[bicyclo[2.1.0]pentane-2,1'-cyclopropane]

C33H58 — CID 91547861

IUPAC1-methyl-2'-[2,3,4,7-tetramethyl-8-(3-methyl-2-propyl-1-bicyclo[1.1.0]butanyl)-3-pentan-2-yloctyl]spiro[bicyclo[2.1.0]pentane-2,1'-cyclopropane]
SMILESCCCC(C)C(C)(C(C)CCC(C)CC12CC1(C)C2CCC)C(C)CC1CC12CC1CC12C
InChIInChI=1S/C33H58/c1-10-12-23(4)31(9,25(6)16-26-19-32(26)20-27-18-29(27,32)7)24(5)15-14-22(3)17-33-21-30(33,8)28(33)13-11-2/h22-28H,10-21H2,1-9H3
InChIKeyYAUAVIVWLORTAH-UHFFFAOYSA-N
MW454.83 g/mol
LogP10.16
Rot. Bonds14

About 1-methyl-2'-[2,3,4,7-tetramethyl-8-(3-methyl-2-propyl-1-bicyclo[1.1.0]butanyl)-3-pentan-2-yloctyl]spiro[bicyclo[2.1.0]pentane-2,1'-cyclopropane]

1-methyl-2'-[2,3,4,7-tetramethyl-8-(3-methyl-2-propyl-1-bicyclo[1.1.0]butanyl)-3-pentan-2-yloctyl]spiro[bicyclo[2.1.0]pentane-2,1'-cyclopropane] (PubChem CID 91547861) has the molecular formula C33H58 and a molecular weight of 454.83 g/mol. Its IUPAC name is 1-methyl-2'-[2,3,4,7-tetramethyl-8-(3-methyl-2-propyl-1-bicyclo[1.1.0]butanyl)-3-pentan-2-yloctyl]spiro[bicyclo[2.1.0]pentane-2,1'-cyclopropane].

Molecular Properties

Compound Name1-methyl-2'-[2,3,4,7-tetramethyl-8-(3-methyl-2-propyl-1-bicyclo[1.1.0]butanyl)-3-pentan-2-yloctyl]spiro[bicyclo[2.1.0]pentane-2,1'-cyclopropane]
PubChem CID91547861
Molecular FormulaC33H58
Molecular Weight454.83 g/mol
Exact Mass454.45
IUPAC Name1-methyl-2'-[2,3,4,7-tetramethyl-8-(3-methyl-2-propyl-1-bicyclo[1.1.0]butanyl)-3-pentan-2-yloctyl]spiro[bicyclo[2.1.0]pentane-2,1'-cyclopropane]
SMILESCCCC(C)C(C)(C(C)CCC(C)CC12CC1(C)C2CCC)C(C)CC1CC12CC1CC12C
InChIInChI=1S/C33H58/c1-10-12-23(4)31(9,25(6)16-26-19-32(26)20-27-18-29(27,32)7)24(5)15-14-22(3)17-33-21-30(33,8)28(33)13-11-2/h22-28H,10-21H2,1-9H3
InChIKeyYAUAVIVWLORTAH-UHFFFAOYSA-N
XLogP10.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.83
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-methyl-2'-[2,3,4,7-tetramethyl-8-(3-methyl-2-propyl-1-bicyclo[1.1.0]butanyl)-3-pentan-2-yloctyl]spiro[bicyclo[2.1.0]pentane-2,1'-cyclopropane] with MolForge

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Related Compounds

Tert-butylcyclobutane;tert-butylcyclopentane;3-tert-butyl-1,1-difluorocyclobutane;1-tert-butyl-3-fluorocyclobutane;2,2-dimethylpropylcyclopropane;propan-2-ylcyclopropane
CID 160623258
7,7-Dimethyltetracyclo[3.2.0.01,6.02,6]heptane
CID 85727943
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'-Ethyl-3-methylspiro[bicyclo[2.1.0]pentane-2,1'-cyclobutane]
CID 90853991
1-(2-Butylcyclopropyl)-5-methylbicyclo[2.1.0]pentane
CID 90870034
2-Butan-2-yl-2,3-dimethyltricyclo[2.1.0.01,3]pentane
CID 90884004

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2'-[2,3,4,7-tetramethyl-8-(3-methyl-2-propyl-1-bicyclo[1.1.0]butanyl)-3-pentan-2-yloctyl]spiro[bicyclo[2.1.0]pentane-2,1'-cyclopropane]?
The IUPAC name of 1-methyl-2'-[2,3,4,7-tetramethyl-8-(3-methyl-2-propyl-1-bicyclo[1.1.0]butanyl)-3-pentan-2-yloctyl]spiro[bicyclo[2.1.0]pentane-2,1'-cyclopropane] (CID 91547861) is 1-methyl-2'-[2,3,4,7-tetramethyl-8-(3-methyl-2-propyl-1-bicyclo[1.1.0]butanyl)-3-pentan-2-yloctyl]spiro[bicyclo[2.1.0]pentane-2,1'-cyclopropane].
What is the SMILES notation for 1-methyl-2'-[2,3,4,7-tetramethyl-8-(3-methyl-2-propyl-1-bicyclo[1.1.0]butanyl)-3-pentan-2-yloctyl]spiro[bicyclo[2.1.0]pentane-2,1'-cyclopropane]?
The canonical SMILES for 1-methyl-2'-[2,3,4,7-tetramethyl-8-(3-methyl-2-propyl-1-bicyclo[1.1.0]butanyl)-3-pentan-2-yloctyl]spiro[bicyclo[2.1.0]pentane-2,1'-cyclopropane] is CCCC(C)C(C)(C(C)CCC(C)CC12CC1(C)C2CCC)C(C)CC1CC12CC1CC12C.
What is the InChIKey of 1-methyl-2'-[2,3,4,7-tetramethyl-8-(3-methyl-2-propyl-1-bicyclo[1.1.0]butanyl)-3-pentan-2-yloctyl]spiro[bicyclo[2.1.0]pentane-2,1'-cyclopropane]?
The InChIKey is YAUAVIVWLORTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H58/c1-10-12-23(4)31(9,25(6)16-26-19-32(26)20-27-18-29(27,32)7)24(5)15-14-22(3)17-33-21-30(33,8)28(33)13-11-2/h22-28H,10-21H2,1-9H3.
What are the key properties of 1-methyl-2'-[2,3,4,7-tetramethyl-8-(3-methyl-2-propyl-1-bicyclo[1.1.0]butanyl)-3-pentan-2-yloctyl]spiro[bicyclo[2.1.0]pentane-2,1'-cyclopropane]?
1-methyl-2'-[2,3,4,7-tetramethyl-8-(3-methyl-2-propyl-1-bicyclo[1.1.0]butanyl)-3-pentan-2-yloctyl]spiro[bicyclo[2.1.0]pentane-2,1'-cyclopropane] has a molecular weight of 454.83 g/mol, XLogP of 10.16, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2'-[2,3,4,7-tetramethyl-8-(3-methyl-2-propyl-1-bicyclo[1.1.0]butanyl)-3-pentan-2-yloctyl]spiro[bicyclo[2.1.0]pentane-2,1'-cyclopropane] is sourced from PubChem (CID 91547861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).