1,4,6,7,8,11-hexamethyltetracyclo[5.3.1.02,9.03,6]undecane

C17H28 — CID 123392988

IUPAC1,4,6,7,8,11-hexamethyltetracyclo[5.3.1.02,9.03,6]undecane
SMILESCC1CC2(C)C1C1C3CC1(C)C(C)C2(C)C3C
InChIInChI=1S/C17H28/c1-9-7-16(5)13(9)14-12-8-15(14,4)11(3)17(16,6)10(12)2/h9-14H,7-8H2,1-6H3
InChIKeyYJBQOEHZNQGVQM-UHFFFAOYSA-N
MW232.41 g/mol
LogP4.60
Rot. Bonds

About 1,4,6,7,8,11-hexamethyltetracyclo[5.3.1.02,9.03,6]undecane

1,4,6,7,8,11-hexamethyltetracyclo[5.3.1.02,9.03,6]undecane (PubChem CID 123392988) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 1,4,6,7,8,11-hexamethyltetracyclo[5.3.1.02,9.03,6]undecane.

Molecular Properties

Compound Name1,4,6,7,8,11-hexamethyltetracyclo[5.3.1.02,9.03,6]undecane
PubChem CID123392988
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name1,4,6,7,8,11-hexamethyltetracyclo[5.3.1.02,9.03,6]undecane
SMILESCC1CC2(C)C1C1C3CC1(C)C(C)C2(C)C3C
InChIInChI=1S/C17H28/c1-9-7-16(5)13(9)14-12-8-15(14,4)11(3)17(16,6)10(12)2/h9-14H,7-8H2,1-6H3
InChIKeyYJBQOEHZNQGVQM-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,4,9-tetramethyltetracyclo[6.1.1.02,7.03,6]decane
CID 123168411
2,3,4,5,6,7-hexamethyltricyclo[3.2.1.03,6]octane
CID 123913198
4,5,6,9,10,11-hexamethylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane
CID 174043765
8,9,10,11,12-pentamethylpentacyclo[5.4.1.02,6.04,9.010,12]dodecane
CID 123730283
(1R,2R,4S,5R)-4,5-dimethyltricyclo[4.1.0.02,4]heptane
CID 163487184
4,5,6-trimethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane
CID 144514053
9,10,11-trimethylpentacyclo[6.3.1.01,7.02,6.04,10]dodecane
CID 123902270
(1S,2R,3S,7S)-1,2,7-trimethyltricyclo[3.2.1.03,8]octane
CID 163751027
3,3,9,10-tetramethyltricyclo[7.1.1.02,7]undecan-8-ol
CID 70531905
1,2,7,8,9-pentamethylhexacyclo[6.6.0.03,13.04,12.05,11.06,10]tetradecane
CID 123810122
2-(1-hydroxyethyl)-3,4a,5,5a,6,9,10,12,12a-nonamethyl-2,3,4,5,6,6a,7,8,9,10,10a,11,11a,12-tetradecahydro-1H-tetracene-1,11-diol
CID 118014955
1,2,3,5,6,7,11-heptamethyltetracyclo[6.2.1.02,5.03,10]undecane
CID 123527402

Frequently Asked Questions

What is the IUPAC name of 1,4,6,7,8,11-hexamethyltetracyclo[5.3.1.02,9.03,6]undecane?
The IUPAC name of 1,4,6,7,8,11-hexamethyltetracyclo[5.3.1.02,9.03,6]undecane (CID 123392988) is 1,4,6,7,8,11-hexamethyltetracyclo[5.3.1.02,9.03,6]undecane.
What is the SMILES notation for 1,4,6,7,8,11-hexamethyltetracyclo[5.3.1.02,9.03,6]undecane?
The canonical SMILES for 1,4,6,7,8,11-hexamethyltetracyclo[5.3.1.02,9.03,6]undecane is CC1CC2(C)C1C1C3CC1(C)C(C)C2(C)C3C.
What is the InChIKey of 1,4,6,7,8,11-hexamethyltetracyclo[5.3.1.02,9.03,6]undecane?
The InChIKey is YJBQOEHZNQGVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-9-7-16(5)13(9)14-12-8-15(14,4)11(3)17(16,6)10(12)2/h9-14H,7-8H2,1-6H3.
What are the key properties of 1,4,6,7,8,11-hexamethyltetracyclo[5.3.1.02,9.03,6]undecane?
1,4,6,7,8,11-hexamethyltetracyclo[5.3.1.02,9.03,6]undecane has a molecular weight of 232.41 g/mol, XLogP of 4.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6,7,8,11-hexamethyltetracyclo[5.3.1.02,9.03,6]undecane is sourced from PubChem (CID 123392988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).