9-ethyl-2,2-dimethyl-9-[3-methyl-4-(5-methyl-4-propan-2-yl-3-tricyclo[2.1.0.01,3]pentanyl)hexyl]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane

C35H52 — CID 91078377

IUPAC9-ethyl-2,2-dimethyl-9-[3-methyl-4-(5-methyl-4-propan-2-yl-3-tricyclo[2.1.0.01,3]pentanyl)hexyl]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane
SMILESCCC(C(C)CCC1(CC)CC12CC21CC12CC21CC12CC21CC1(C)C)C12CC13C(C)C23C(C)C
InChIInChI=1S/C35H52/c1-9-24(34-20-33(34)23(6)35(33,34)21(3)4)22(5)11-12-26(10-2)14-28(26)16-30(28)18-32(30)19-31(32)17-29(31)15-27(29)13-25(27,7)8/h21-24H,9-20H2,1-8H3
InChIKeyBOXJITOYWZWYTH-UHFFFAOYSA-N
MW472.80 g/mol
LogP9.28
Rot. Bonds8

About 9-ethyl-2,2-dimethyl-9-[3-methyl-4-(5-methyl-4-propan-2-yl-3-tricyclo[2.1.0.01,3]pentanyl)hexyl]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane

9-ethyl-2,2-dimethyl-9-[3-methyl-4-(5-methyl-4-propan-2-yl-3-tricyclo[2.1.0.01,3]pentanyl)hexyl]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane (PubChem CID 91078377) has the molecular formula C35H52 and a molecular weight of 472.80 g/mol. Its IUPAC name is 9-ethyl-2,2-dimethyl-9-[3-methyl-4-(5-methyl-4-propan-2-yl-3-tricyclo[2.1.0.01,3]pentanyl)hexyl]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane.

Molecular Properties

Compound Name9-ethyl-2,2-dimethyl-9-[3-methyl-4-(5-methyl-4-propan-2-yl-3-tricyclo[2.1.0.01,3]pentanyl)hexyl]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane
PubChem CID91078377
Molecular FormulaC35H52
Molecular Weight472.80 g/mol
Exact Mass472.41
IUPAC Name9-ethyl-2,2-dimethyl-9-[3-methyl-4-(5-methyl-4-propan-2-yl-3-tricyclo[2.1.0.01,3]pentanyl)hexyl]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane
SMILESCCC(C(C)CCC1(CC)CC12CC21CC12CC21CC12CC21CC1(C)C)C12CC13C(C)C23C(C)C
InChIInChI=1S/C35H52/c1-9-24(34-20-33(34)23(6)35(33,34)21(3)4)22(5)11-12-26(10-2)14-28(26)16-30(28)18-32(30)19-31(32)17-29(31)15-27(29)13-25(27,7)8/h21-24H,9-20H2,1-8H3
InChIKeyBOXJITOYWZWYTH-UHFFFAOYSA-N
XLogP9.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.80
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-ethyl-2,2-dimethyl-9-[3-methyl-4-(5-methyl-4-propan-2-yl-3-tricyclo[2.1.0.01,3]pentanyl)hexyl]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Fluoro-4-methyl-2-(3-methylbutan-2-yl)tricyclo[2.1.0.01,3]pentane
CID 154979729
1,2-Di(cyclobutyl)-1,5-dipropylcyclopentane
CID 57140572
10-Propyltrispiro[2.0.0.25.24.33]dodecane
CID 57272615
1-Nonylprismane
CID 57277372
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
2',3,3',5-Tetramethylspiro[bicyclo[2.1.0]pentane-2,1'-cyclopropane]
CID 90726040
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-Cyclobutyl-1-cyclopropyl-1-(2-methylpropyl)-5-propan-2-ylcyclopentane
CID 90879840
2-Butan-2-yl-2,3-dimethyltricyclo[2.1.0.01,3]pentane
CID 90884004

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-2,2-dimethyl-9-[3-methyl-4-(5-methyl-4-propan-2-yl-3-tricyclo[2.1.0.01,3]pentanyl)hexyl]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane?
The IUPAC name of 9-ethyl-2,2-dimethyl-9-[3-methyl-4-(5-methyl-4-propan-2-yl-3-tricyclo[2.1.0.01,3]pentanyl)hexyl]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane (CID 91078377) is 9-ethyl-2,2-dimethyl-9-[3-methyl-4-(5-methyl-4-propan-2-yl-3-tricyclo[2.1.0.01,3]pentanyl)hexyl]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane.
What is the SMILES notation for 9-ethyl-2,2-dimethyl-9-[3-methyl-4-(5-methyl-4-propan-2-yl-3-tricyclo[2.1.0.01,3]pentanyl)hexyl]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane?
The canonical SMILES for 9-ethyl-2,2-dimethyl-9-[3-methyl-4-(5-methyl-4-propan-2-yl-3-tricyclo[2.1.0.01,3]pentanyl)hexyl]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane is CCC(C(C)CCC1(CC)CC12CC21CC12CC21CC12CC21CC1(C)C)C12CC13C(C)C23C(C)C.
What is the InChIKey of 9-ethyl-2,2-dimethyl-9-[3-methyl-4-(5-methyl-4-propan-2-yl-3-tricyclo[2.1.0.01,3]pentanyl)hexyl]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane?
The InChIKey is BOXJITOYWZWYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H52/c1-9-24(34-20-33(34)23(6)35(33,34)21(3)4)22(5)11-12-26(10-2)14-28(26)16-30(28)18-32(30)19-31(32)17-29(31)15-27(29)13-25(27,7)8/h21-24H,9-20H2,1-8H3.
What are the key properties of 9-ethyl-2,2-dimethyl-9-[3-methyl-4-(5-methyl-4-propan-2-yl-3-tricyclo[2.1.0.01,3]pentanyl)hexyl]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane?
9-ethyl-2,2-dimethyl-9-[3-methyl-4-(5-methyl-4-propan-2-yl-3-tricyclo[2.1.0.01,3]pentanyl)hexyl]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane has a molecular weight of 472.80 g/mol, XLogP of 9.28, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-2,2-dimethyl-9-[3-methyl-4-(5-methyl-4-propan-2-yl-3-tricyclo[2.1.0.01,3]pentanyl)hexyl]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane is sourced from PubChem (CID 91078377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).