2,6,6-trimethyl-1-[(1S)-2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl]-2-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane

C30H50 — CID 154444877

IUPAC2,6,6-trimethyl-1-[(1S)-2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl]-2-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane
SMILESCC1CCC2CC1(C1(C)CCC3CC1([C@@]14CC(CCC1C)C4(C)C)C3(C)C)C2(C)C
InChIInChI=1S/C30H50/c1-19-10-12-21-16-28(19,24(21,3)4)27(9)15-14-23-18-30(27,26(23,7)8)29-17-22(25(29,5)6)13-11-20(29)2/h19-23H,10-18H2,1-9H3/t19?,20?,21?,22?,23?,27?,28?,29-,30?/m0/s1
InChIKeyKZMWWGNGEMODTC-JFADFBATSA-N
MW410.73 g/mol
LogP8.74
Rot. Bonds2

About 2,6,6-trimethyl-1-[(1S)-2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl]-2-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane

2,6,6-trimethyl-1-[(1S)-2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl]-2-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane (PubChem CID 154444877) has the molecular formula C30H50 and a molecular weight of 410.73 g/mol. Its IUPAC name is 2,6,6-trimethyl-1-[(1S)-2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl]-2-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane.

Molecular Properties

Compound Name2,6,6-trimethyl-1-[(1S)-2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl]-2-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane
PubChem CID154444877
Molecular FormulaC30H50
Molecular Weight410.73 g/mol
Exact Mass410.39
IUPAC Name2,6,6-trimethyl-1-[(1S)-2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl]-2-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane
SMILESCC1CCC2CC1(C1(C)CCC3CC1([C@@]14CC(CCC1C)C4(C)C)C3(C)C)C2(C)C
InChIInChI=1S/C30H50/c1-19-10-12-21-16-28(19,24(21,3)4)27(9)15-14-23-18-30(27,26(23,7)8)29-17-22(25(29,5)6)13-11-20(29)2/h19-23H,10-18H2,1-9H3/t19?,20?,21?,22?,23?,27?,28?,29-,30?/m0/s1
InChIKeyKZMWWGNGEMODTC-JFADFBATSA-N
XLogP8.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.73
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,6,6-trimethyl-1-[(1S)-2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl]-2-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane with MolForge

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Launch Full Analysis

Related Compounds

2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate;2-[2,6,6-trimethyl-1-[2,6,6-trimethyl-2-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)-1-bicyclo[3.1.1]heptanyl]-2-bicyclo[3.1.1]heptanyl]acetic acid
CID 160798778
1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 139833586
2,6,6-trimethyl-1,2-bis(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane
CID 53472048
(1R,3R,6S,7R,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,7-diol
CID 15484337
(1S)-2,6,6-trimethylbicyclo[3.1.1]heptan-1-ol
CID 175971620
(1'R,4R,4'S,5S)-1',4,5,7',7'-pentamethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
CID 98573353
1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptan-2-ol
CID 141237439
2-(1-adamantyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 141298497
(1S,2S,5S,7S)-2,6,6,7-tetramethyltricyclo[6.2.1.01,5]undecan-7-ol
CID 42608184
2-[2-[2-[(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)oxy]ethoxy]ethoxy]ethanol
CID 175803102
chloroplatinum(1+);methylsulfanylmethane;2,6,6-trimethylbicyclo[3.1.1]heptane-1-thiolate
CID 159299942
2-(hydroxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 10130254

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-1-[(1S)-2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl]-2-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane?
The IUPAC name of 2,6,6-trimethyl-1-[(1S)-2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl]-2-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane (CID 154444877) is 2,6,6-trimethyl-1-[(1S)-2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl]-2-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane.
What is the SMILES notation for 2,6,6-trimethyl-1-[(1S)-2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl]-2-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane?
The canonical SMILES for 2,6,6-trimethyl-1-[(1S)-2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl]-2-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane is CC1CCC2CC1(C1(C)CCC3CC1([C@@]14CC(CCC1C)C4(C)C)C3(C)C)C2(C)C.
What is the InChIKey of 2,6,6-trimethyl-1-[(1S)-2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl]-2-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane?
The InChIKey is KZMWWGNGEMODTC-JFADFBATSA-N. The full InChI is InChI=1S/C30H50/c1-19-10-12-21-16-28(19,24(21,3)4)27(9)15-14-23-18-30(27,26(23,7)8)29-17-22(25(29,5)6)13-11-20(29)2/h19-23H,10-18H2,1-9H3/t19?,20?,21?,22?,23?,27?,28?,29-,30?/m0/s1.
What are the key properties of 2,6,6-trimethyl-1-[(1S)-2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl]-2-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane?
2,6,6-trimethyl-1-[(1S)-2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl]-2-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane has a molecular weight of 410.73 g/mol, XLogP of 8.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-1-[(1S)-2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl]-2-(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane is sourced from PubChem (CID 154444877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).