1,2,3,3,7,7-hexamethylbicyclo[2.2.1]heptane

C13H24 — CID 123819480

IUPAC1,2,3,3,7,7-hexamethylbicyclo[2.2.1]heptane
SMILESCC1C(C)(C)C2CCC1(C)C2(C)C
InChIInChI=1S/C13H24/c1-9-11(2,3)10-7-8-13(9,6)12(10,4)5/h9-10H,7-8H2,1-6H3
InChIKeyQSVLZPRVPLKSJN-UHFFFAOYSA-N
MW180.34 g/mol
LogP4.10
Rot. Bonds

About 1,2,3,3,7,7-hexamethylbicyclo[2.2.1]heptane

1,2,3,3,7,7-hexamethylbicyclo[2.2.1]heptane (PubChem CID 123819480) has the molecular formula C13H24 and a molecular weight of 180.34 g/mol. Its IUPAC name is 1,2,3,3,7,7-hexamethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1,2,3,3,7,7-hexamethylbicyclo[2.2.1]heptane
PubChem CID123819480
Molecular FormulaC13H24
Molecular Weight180.34 g/mol
Exact Mass180.19
IUPAC Name1,2,3,3,7,7-hexamethylbicyclo[2.2.1]heptane
SMILESCC1C(C)(C)C2CCC1(C)C2(C)C
InChIInChI=1S/C13H24/c1-9-11(2,3)10-7-8-13(9,6)12(10,4)5/h9-10H,7-8H2,1-6H3
InChIKeyQSVLZPRVPLKSJN-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1'S,2'R,4'R)-1',7',7'-trimethylspiro[1,3-dioxolane-2,3'-bicyclo[2.2.1]heptane]-2'-ol
CID 22216407
2,6,6-trimethyl-2-(2,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl)bicyclo[3.1.1]heptane
CID 23528933
(1R,2R,4S)-1,2,7,7-tetramethylbicyclo[2.2.1]heptane
CID 123374537
2,3,4,4,8-pentamethyl-8-(2-methylcyclobutyl)tricyclo[3.2.1.01,3]octane
CID 123524666
(1R,3aR,5S,7aS)-1,4,4,7a-tetramethyl-2,3,3a,5,6,7-hexahydroindene-1,5-diol
CID 10703779
7,8,8,9-tetramethyltricyclo[5.2.2.01,6]undecane
CID 175245499
1-methyl-5-propylbicyclo[2.1.0]pentan-5-amine
CID 162011591
5,7,8-trimethyltricyclo[3.2.1.01,4]octane
CID 123174186
(1R,4R)-3,4,7,7-tetramethylbicyclo[2.2.1]heptan-2-one
CID 130754394
1,7,7-trimethyl-2-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)bicyclo[2.2.1]heptane
CID 91605552
(1R,3R,4R,5S,6R,7S)-5-(methoxymethoxy)-2,2,4,5,7-pentamethyltricyclo[4.3.1.03,7]decan-3-ol
CID 11536484
3-(dimethylamino)-4,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 547533

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3,7,7-hexamethylbicyclo[2.2.1]heptane?
The IUPAC name of 1,2,3,3,7,7-hexamethylbicyclo[2.2.1]heptane (CID 123819480) is 1,2,3,3,7,7-hexamethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 1,2,3,3,7,7-hexamethylbicyclo[2.2.1]heptane?
The canonical SMILES for 1,2,3,3,7,7-hexamethylbicyclo[2.2.1]heptane is CC1C(C)(C)C2CCC1(C)C2(C)C.
What is the InChIKey of 1,2,3,3,7,7-hexamethylbicyclo[2.2.1]heptane?
The InChIKey is QSVLZPRVPLKSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-9-11(2,3)10-7-8-13(9,6)12(10,4)5/h9-10H,7-8H2,1-6H3.
What are the key properties of 1,2,3,3,7,7-hexamethylbicyclo[2.2.1]heptane?
1,2,3,3,7,7-hexamethylbicyclo[2.2.1]heptane has a molecular weight of 180.34 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,7,7-hexamethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 123819480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).