2,3-dimethylbicyclo[2.2.1]heptane;bis(2,3,5-trimethylbicyclo[2.2.1]heptane)

C29H52 — CID 160833489

IUPAC2,3-dimethylbicyclo[2.2.1]heptane;bis(2,3,5-trimethylbicyclo[2.2.1]heptane)
SMILESCC1C2CCC(C2)C1C.CC1CC2CC1C(C)C2C.CC1CC2CC1C(C)C2C
InChIInChI=1S/2C10H18.C9H16/c2*1-6-4-9-5-10(6)8(3)7(9)2;1-6-7(2)9-4-3-8(6)5-9/h2*6-10H,4-5H2,1-3H3;6-9H,3-5H2,1-2H3
InChIKeySHCNAGSCDWRJMY-UHFFFAOYSA-N
MW400.74 g/mol
LogP8.56
Rot. Bonds

About 2,3-dimethylbicyclo[2.2.1]heptane;bis(2,3,5-trimethylbicyclo[2.2.1]heptane)

2,3-dimethylbicyclo[2.2.1]heptane;bis(2,3,5-trimethylbicyclo[2.2.1]heptane) (PubChem CID 160833489) has the molecular formula C29H52 and a molecular weight of 400.74 g/mol. Its IUPAC name is 2,3-dimethylbicyclo[2.2.1]heptane;bis(2,3,5-trimethylbicyclo[2.2.1]heptane).

Molecular Properties

Compound Name2,3-dimethylbicyclo[2.2.1]heptane;bis(2,3,5-trimethylbicyclo[2.2.1]heptane)
PubChem CID160833489
Molecular FormulaC29H52
Molecular Weight400.74 g/mol
Exact Mass400.41
IUPAC Name2,3-dimethylbicyclo[2.2.1]heptane;bis(2,3,5-trimethylbicyclo[2.2.1]heptane)
SMILESCC1C2CCC(C2)C1C.CC1CC2CC1C(C)C2C.CC1CC2CC1C(C)C2C
InChIInChI=1S/2C10H18.C9H16/c2*1-6-4-9-5-10(6)8(3)7(9)2;1-6-7(2)9-4-3-8(6)5-9/h2*6-10H,4-5H2,1-3H3;6-9H,3-5H2,1-2H3
InChIKeySHCNAGSCDWRJMY-UHFFFAOYSA-N
XLogP8.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.74
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3-dimethylbicyclo[2.2.1]heptane;bis(2,3,5-trimethylbicyclo[2.2.1]heptane) with MolForge

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Related Compounds

(5R)-2,3,5-trimethylbicyclo[2.2.1]heptane
CID 59217509
(1R,3R,4S)-2,3-dimethylbicyclo[2.2.1]heptane
CID 163414856
(1R,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane
CID 91107187
(1S,4R)-5-methylbicyclo[2.1.1]hexane
CID 154518789
(2S,3R,5S)-3,5-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid;(2S,3S,5S)-2,3,5-trimethylbicyclo[2.2.1]heptane
CID 91447754
(2S)-2-methylbicyclo[2.2.0]hexane
CID 174068638
2,3-dimethylbicyclo[2.2.1]heptane;methoxymethane
CID 123361313
ethane;4-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 91205881
(4aS,8aR)-1,2,3-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene
CID 123960499
(3R)-2,3-dimethylbicyclo[3.2.0]heptane
CID 154561320
4-methyl-1,2,2a,3,4,4a,5,6,7,8,8a,8b-dodecahydrocyclobuta[a]naphthalene
CID 163896110
(7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane
CID 144532112

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbicyclo[2.2.1]heptane;bis(2,3,5-trimethylbicyclo[2.2.1]heptane)?
The IUPAC name of 2,3-dimethylbicyclo[2.2.1]heptane;bis(2,3,5-trimethylbicyclo[2.2.1]heptane) (CID 160833489) is 2,3-dimethylbicyclo[2.2.1]heptane;bis(2,3,5-trimethylbicyclo[2.2.1]heptane).
What is the SMILES notation for 2,3-dimethylbicyclo[2.2.1]heptane;bis(2,3,5-trimethylbicyclo[2.2.1]heptane)?
The canonical SMILES for 2,3-dimethylbicyclo[2.2.1]heptane;bis(2,3,5-trimethylbicyclo[2.2.1]heptane) is CC1C2CCC(C2)C1C.CC1CC2CC1C(C)C2C.CC1CC2CC1C(C)C2C.
What is the InChIKey of 2,3-dimethylbicyclo[2.2.1]heptane;bis(2,3,5-trimethylbicyclo[2.2.1]heptane)?
The InChIKey is SHCNAGSCDWRJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H18.C9H16/c2*1-6-4-9-5-10(6)8(3)7(9)2;1-6-7(2)9-4-3-8(6)5-9/h2*6-10H,4-5H2,1-3H3;6-9H,3-5H2,1-2H3.
What are the key properties of 2,3-dimethylbicyclo[2.2.1]heptane;bis(2,3,5-trimethylbicyclo[2.2.1]heptane)?
2,3-dimethylbicyclo[2.2.1]heptane;bis(2,3,5-trimethylbicyclo[2.2.1]heptane) has a molecular weight of 400.74 g/mol, XLogP of 8.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbicyclo[2.2.1]heptane;bis(2,3,5-trimethylbicyclo[2.2.1]heptane) is sourced from PubChem (CID 160833489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).