2,3,4,5,6,7-hexamethyltricyclo[3.2.1.03,6]octane

C14H24 — CID 123913198

IUPAC2,3,4,5,6,7-hexamethyltricyclo[3.2.1.03,6]octane
SMILESCC1C2CC3(C)C(C)C1(C)C3(C)C2C
InChIInChI=1S/C14H24/c1-8-11-7-12(4)10(3)13(8,5)14(12,6)9(11)2/h8-11H,7H2,1-6H3
InChIKeyJPUPJHHWTWVXRZ-UHFFFAOYSA-N
MW192.35 g/mol
LogP3.96
Rot. Bonds

About 2,3,4,5,6,7-hexamethyltricyclo[3.2.1.03,6]octane

2,3,4,5,6,7-hexamethyltricyclo[3.2.1.03,6]octane (PubChem CID 123913198) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 2,3,4,5,6,7-hexamethyltricyclo[3.2.1.03,6]octane.

Molecular Properties

Compound Name2,3,4,5,6,7-hexamethyltricyclo[3.2.1.03,6]octane
PubChem CID123913198
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name2,3,4,5,6,7-hexamethyltricyclo[3.2.1.03,6]octane
SMILESCC1C2CC3(C)C(C)C1(C)C3(C)C2C
InChIInChI=1S/C14H24/c1-8-11-7-12(4)10(3)13(8,5)14(12,6)9(11)2/h8-11H,7H2,1-6H3
InChIKeyJPUPJHHWTWVXRZ-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,2,3,4,6-hexamethylbicyclo[2.2.0]hexane
CID 91324406
1,2,7,8,9-pentamethylhexacyclo[6.6.0.03,13.04,12.05,11.06,10]tetradecane
CID 123810122
1,4,6,7,8,11-hexamethyltetracyclo[5.3.1.02,9.03,6]undecane
CID 123392988
1,2,4,9-tetramethyltetracyclo[6.1.1.02,7.03,6]decane
CID 123168411
1,2,3,5,6,7,11-heptamethyltetracyclo[6.2.1.02,5.03,10]undecane
CID 123527402
(2R,5R)-1,2,3,4,5-pentamethyltricyclo[3.1.0.02,6]hexane
CID 163529293
CID 162401464
CID 162401464
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
4,5,6,8-tetramethyltetracyclo[3.3.0.01,3.02,6]octane
CID 123295375
8,9,10,11,12-pentamethylpentacyclo[5.4.1.02,6.04,9.010,12]dodecane
CID 123730283
1,2,3,10,12-pentamethylpentacyclo[5.5.0.02,6.04,10.08,12]dodecane
CID 123405539
1,4,7-trimethylbicyclo[2.2.1]hept-2-ene
CID 123899625

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7-hexamethyltricyclo[3.2.1.03,6]octane?
The IUPAC name of 2,3,4,5,6,7-hexamethyltricyclo[3.2.1.03,6]octane (CID 123913198) is 2,3,4,5,6,7-hexamethyltricyclo[3.2.1.03,6]octane.
What is the SMILES notation for 2,3,4,5,6,7-hexamethyltricyclo[3.2.1.03,6]octane?
The canonical SMILES for 2,3,4,5,6,7-hexamethyltricyclo[3.2.1.03,6]octane is CC1C2CC3(C)C(C)C1(C)C3(C)C2C.
What is the InChIKey of 2,3,4,5,6,7-hexamethyltricyclo[3.2.1.03,6]octane?
The InChIKey is JPUPJHHWTWVXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-8-11-7-12(4)10(3)13(8,5)14(12,6)9(11)2/h8-11H,7H2,1-6H3.
What are the key properties of 2,3,4,5,6,7-hexamethyltricyclo[3.2.1.03,6]octane?
2,3,4,5,6,7-hexamethyltricyclo[3.2.1.03,6]octane has a molecular weight of 192.35 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7-hexamethyltricyclo[3.2.1.03,6]octane is sourced from PubChem (CID 123913198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).