3,4,6-trimethyl-1-[6-methyl-5-(2-methylcyclobutyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[3.1.1]heptane

C23H38 — CID 123909687

IUPAC3,4,6-trimethyl-1-[6-methyl-5-(2-methylcyclobutyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[3.1.1]heptane
SMILESCC1CC2(C3CC4CC3C(C)C4C3CCC3C)CC(C1C)C2C
InChIInChI=1S/C23H38/c1-12-6-7-18(12)22-15(4)19-8-17(22)9-21(19)23-10-13(2)14(3)20(11-23)16(23)5/h12-22H,6-11H2,1-5H3
InChIKeyWGPUBDRYVKBTQD-UHFFFAOYSA-N
MW314.56 g/mol
LogP6.26
Rot. Bonds2

About 3,4,6-trimethyl-1-[6-methyl-5-(2-methylcyclobutyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[3.1.1]heptane

3,4,6-trimethyl-1-[6-methyl-5-(2-methylcyclobutyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[3.1.1]heptane (PubChem CID 123909687) has the molecular formula C23H38 and a molecular weight of 314.56 g/mol. Its IUPAC name is 3,4,6-trimethyl-1-[6-methyl-5-(2-methylcyclobutyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3,4,6-trimethyl-1-[6-methyl-5-(2-methylcyclobutyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[3.1.1]heptane
PubChem CID123909687
Molecular FormulaC23H38
Molecular Weight314.56 g/mol
Exact Mass314.30
IUPAC Name3,4,6-trimethyl-1-[6-methyl-5-(2-methylcyclobutyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[3.1.1]heptane
SMILESCC1CC2(C3CC4CC3C(C)C4C3CCC3C)CC(C1C)C2C
InChIInChI=1S/C23H38/c1-12-6-7-18(12)22-15(4)19-8-17(22)9-21(19)23-10-13(2)14(3)20(11-23)16(23)5/h12-22H,6-11H2,1-5H3
InChIKeyWGPUBDRYVKBTQD-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.56
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,4,6-trimethyl-1-[6-methyl-5-(2-methylcyclobutyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[3.1.1]heptane with MolForge

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Related Compounds

7-methyltricyclo[4.3.1.03,10]decane
CID 147439470
(1S,2S)-2-methylbicyclo[3.1.0]hexane
CID 154518403
2,5,7,9-tetramethylbicyclo[4.2.1]nonane
CID 123564718
2'-(2,3-dimethylcyclohexyl)spiro[bicyclo[2.1.0]pentane-2,3'-bicyclo[3.1.0]hexane]
CID 123849579
1,2,7,8-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 123566635
(1aR,4aR,7S,7aS,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7,7a,7b-decahydrocyclopropa[e]azulene
CID 171038638
(3R)-2,3-dimethylbicyclo[3.2.0]heptane
CID 154561320
(1S,2S,3R,6R,7R,8S,10S)-3-methyltetracyclo[5.4.0.02,6.08,10]undecane
CID 143721381
2,6-dimethylbicyclo[3.2.0]heptane
CID 91170917
ethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 91205881
15',18',18'-trimethyl-3,5-bis(3-methylpentan-3-yl)spiro[cyclohexane-1,13'-heptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosane]
CID 168816899
2-(2,3-dimethylcyclohexyl)-1,3-dimethyl-4-(2-methylcyclohexyl)cyclohexane
CID 123855640

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethyl-1-[6-methyl-5-(2-methylcyclobutyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[3.1.1]heptane?
The IUPAC name of 3,4,6-trimethyl-1-[6-methyl-5-(2-methylcyclobutyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[3.1.1]heptane (CID 123909687) is 3,4,6-trimethyl-1-[6-methyl-5-(2-methylcyclobutyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[3.1.1]heptane.
What is the SMILES notation for 3,4,6-trimethyl-1-[6-methyl-5-(2-methylcyclobutyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[3.1.1]heptane?
The canonical SMILES for 3,4,6-trimethyl-1-[6-methyl-5-(2-methylcyclobutyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[3.1.1]heptane is CC1CC2(C3CC4CC3C(C)C4C3CCC3C)CC(C1C)C2C.
What is the InChIKey of 3,4,6-trimethyl-1-[6-methyl-5-(2-methylcyclobutyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[3.1.1]heptane?
The InChIKey is WGPUBDRYVKBTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38/c1-12-6-7-18(12)22-15(4)19-8-17(22)9-21(19)23-10-13(2)14(3)20(11-23)16(23)5/h12-22H,6-11H2,1-5H3.
What are the key properties of 3,4,6-trimethyl-1-[6-methyl-5-(2-methylcyclobutyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[3.1.1]heptane?
3,4,6-trimethyl-1-[6-methyl-5-(2-methylcyclobutyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[3.1.1]heptane has a molecular weight of 314.56 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethyl-1-[6-methyl-5-(2-methylcyclobutyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[3.1.1]heptane is sourced from PubChem (CID 123909687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).