3,4,5,8-tetramethyl-9-[2,3,4-trimethyl-5-[3,4,5-trimethyl-9-(2,3,4,5-tetramethylcyclopentyl)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentyl]tricyclo[5.2.1.02,6]decane

C44H74 — CID 123436578

IUPAC3,4,5,8-tetramethyl-9-[2,3,4-trimethyl-5-[3,4,5-trimethyl-9-(2,3,4,5-tetramethylcyclopentyl)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentyl]tricyclo[5.2.1.02,6]decane
SMILESCC1C(C)C(C)C(C2C3CC(C4C(C)C(C)C(C)C34)C2C2C(C)C(C)C(C)C2C2C(C)C3CC2C2C(C)C(C)C(C)C32)C1C
InChIInChI=1S/C44H74/c1-17-18(2)23(7)35(22(17)6)43-33-16-34(39-27(11)20(4)26(10)38(33)39)44(43)42-29(13)21(5)28(12)41(42)40-30(14)31-15-32(40)37-25(9)19(3)24(8)36(31)37/h17-44H,15-16H2,1-14H3
InChIKeyRTUFHNYGQSSCCT-UHFFFAOYSA-N
MW603.08 g/mol
LogP11.41
Rot. Bonds3

About 3,4,5,8-tetramethyl-9-[2,3,4-trimethyl-5-[3,4,5-trimethyl-9-(2,3,4,5-tetramethylcyclopentyl)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentyl]tricyclo[5.2.1.02,6]decane

3,4,5,8-tetramethyl-9-[2,3,4-trimethyl-5-[3,4,5-trimethyl-9-(2,3,4,5-tetramethylcyclopentyl)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentyl]tricyclo[5.2.1.02,6]decane (PubChem CID 123436578) has the molecular formula C44H74 and a molecular weight of 603.08 g/mol. Its IUPAC name is 3,4,5,8-tetramethyl-9-[2,3,4-trimethyl-5-[3,4,5-trimethyl-9-(2,3,4,5-tetramethylcyclopentyl)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentyl]tricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name3,4,5,8-tetramethyl-9-[2,3,4-trimethyl-5-[3,4,5-trimethyl-9-(2,3,4,5-tetramethylcyclopentyl)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentyl]tricyclo[5.2.1.02,6]decane
PubChem CID123436578
Molecular FormulaC44H74
Molecular Weight603.08 g/mol
Exact Mass602.58
IUPAC Name3,4,5,8-tetramethyl-9-[2,3,4-trimethyl-5-[3,4,5-trimethyl-9-(2,3,4,5-tetramethylcyclopentyl)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentyl]tricyclo[5.2.1.02,6]decane
SMILESCC1C(C)C(C)C(C2C3CC(C4C(C)C(C)C(C)C34)C2C2C(C)C(C)C(C)C2C2C(C)C3CC2C2C(C)C(C)C(C)C32)C1C
InChIInChI=1S/C44H74/c1-17-18(2)23(7)35(22(17)6)43-33-16-34(39-27(11)20(4)26(10)38(33)39)44(43)42-29(13)21(5)28(12)41(42)40-30(14)31-15-32(40)37-25(9)19(3)24(8)36(31)37/h17-44H,15-16H2,1-14H3
InChIKeyRTUFHNYGQSSCCT-UHFFFAOYSA-N
XLogP11.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.08
LogP ≤ 511.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,4,5,8-tetramethyl-9-[2,3,4-trimethyl-5-[3,4,5-trimethyl-9-(2,3,4,5-tetramethylcyclopentyl)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentyl]tricyclo[5.2.1.02,6]decane with MolForge

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Related Compounds

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CID 23600006
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CID 91281388
6,8,10-trimethylpentacyclo[7.5.0.02,7.03,5.011,14]tetradecane-13-thiol
CID 174352622
3-ethyl-5,6,12,13-tetramethylpentacyclo[8.4.1.02,9.04,7.011,14]pentadecane
CID 123273442
19,20-dimethylnonadecacyclo[36.2.0.02,37.03,36.04,35.05,34.06,33.07,32.08,31.09,30.010,29.011,28.012,27.013,26.014,25.015,24.016,23.017,22.018,21]tetracontane
CID 59256890
17,18-dimethyloctadecacyclo[32.4.0.02,33.03,32.04,31.05,30.06,29.07,28.08,27.09,26.010,25.011,24.012,23.013,22.014,21.015,20.016,19.035,38]octatriacontane
CID 59256891
(1S,2R,6S,7R,8R,9R,10S,11S)-9,10-dimethyltetracyclo[5.4.1.02,6.08,11]dodecane
CID 102370300
2,3,4,6-tetramethylbicyclo[3.1.0]hexane
CID 91229213
(7S,8R)-3,4,7,8-tetramethyltricyclo[4.2.0.02,5]octane
CID 58241652
(2R,3S,5R,6R)-2,3,5,6-tetramethylbicyclo[2.2.0]hexane
CID 123730639
2,3-dimethylbicyclo[2.1.0]pentane
CID 91187762
2,4,6,7,8-pentamethyltricyclo[3.3.1.03,9]nonane
CID 123787796

Frequently Asked Questions

What is the IUPAC name of 3,4,5,8-tetramethyl-9-[2,3,4-trimethyl-5-[3,4,5-trimethyl-9-(2,3,4,5-tetramethylcyclopentyl)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentyl]tricyclo[5.2.1.02,6]decane?
The IUPAC name of 3,4,5,8-tetramethyl-9-[2,3,4-trimethyl-5-[3,4,5-trimethyl-9-(2,3,4,5-tetramethylcyclopentyl)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentyl]tricyclo[5.2.1.02,6]decane (CID 123436578) is 3,4,5,8-tetramethyl-9-[2,3,4-trimethyl-5-[3,4,5-trimethyl-9-(2,3,4,5-tetramethylcyclopentyl)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentyl]tricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 3,4,5,8-tetramethyl-9-[2,3,4-trimethyl-5-[3,4,5-trimethyl-9-(2,3,4,5-tetramethylcyclopentyl)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentyl]tricyclo[5.2.1.02,6]decane?
The canonical SMILES for 3,4,5,8-tetramethyl-9-[2,3,4-trimethyl-5-[3,4,5-trimethyl-9-(2,3,4,5-tetramethylcyclopentyl)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentyl]tricyclo[5.2.1.02,6]decane is CC1C(C)C(C)C(C2C3CC(C4C(C)C(C)C(C)C34)C2C2C(C)C(C)C(C)C2C2C(C)C3CC2C2C(C)C(C)C(C)C32)C1C.
What is the InChIKey of 3,4,5,8-tetramethyl-9-[2,3,4-trimethyl-5-[3,4,5-trimethyl-9-(2,3,4,5-tetramethylcyclopentyl)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentyl]tricyclo[5.2.1.02,6]decane?
The InChIKey is RTUFHNYGQSSCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H74/c1-17-18(2)23(7)35(22(17)6)43-33-16-34(39-27(11)20(4)26(10)38(33)39)44(43)42-29(13)21(5)28(12)41(42)40-30(14)31-15-32(40)37-25(9)19(3)24(8)36(31)37/h17-44H,15-16H2,1-14H3.
What are the key properties of 3,4,5,8-tetramethyl-9-[2,3,4-trimethyl-5-[3,4,5-trimethyl-9-(2,3,4,5-tetramethylcyclopentyl)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentyl]tricyclo[5.2.1.02,6]decane?
3,4,5,8-tetramethyl-9-[2,3,4-trimethyl-5-[3,4,5-trimethyl-9-(2,3,4,5-tetramethylcyclopentyl)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentyl]tricyclo[5.2.1.02,6]decane has a molecular weight of 603.08 g/mol, XLogP of 11.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,8-tetramethyl-9-[2,3,4-trimethyl-5-[3,4,5-trimethyl-9-(2,3,4,5-tetramethylcyclopentyl)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentyl]tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 123436578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).