4,5,6,9,10,11-hexamethylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane

C18H26 — CID 174043765

IUPAC4,5,6,9,10,11-hexamethylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane
SMILESCC1C2C3C(C)C4(C)C(C)C5C6C(C)C1(C)C26C354
InChIInChI=1S/C18H26/c1-7-11-12-9(3)16(6)10(4)14-13-8(2)15(7,5)17(11,13)18(12,14)16/h7-14H,1-6H3
InChIKeyPSHLVPSWOPKKDB-UHFFFAOYSA-N
MW242.41 g/mol
LogP4.06
Rot. Bonds

About 4,5,6,9,10,11-hexamethylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane

4,5,6,9,10,11-hexamethylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane (PubChem CID 174043765) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 4,5,6,9,10,11-hexamethylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane.

Molecular Properties

Compound Name4,5,6,9,10,11-hexamethylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane
PubChem CID174043765
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name4,5,6,9,10,11-hexamethylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane
SMILESCC1C2C3C(C)C4(C)C(C)C5C6C(C)C1(C)C26C354
InChIInChI=1S/C18H26/c1-7-11-12-9(3)16(6)10(4)14-13-8(2)15(7,5)17(11,13)18(12,14)16/h7-14H,1-6H3
InChIKeyPSHLVPSWOPKKDB-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4,5,6,9,10,11-hexamethylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane with MolForge

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Related Compounds

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(2R,5R)-1,2,3,4,5-pentamethyltricyclo[3.1.0.02,6]hexane
CID 163529293
1,4,6,7,8,11-hexamethyltetracyclo[5.3.1.02,9.03,6]undecane
CID 123392988
25,26,27-trimethylhexadecacyclo[14.13.0.01,14.02,28.03,14.05,13.07,22.08,12.09,19.09,21.010,18.011,15.011,17.020,23.024,29.026,29]nonacosane
CID 140676171
2,3-dimethyltricyclo[2.1.0.02,5]pentane
CID 123959749
8,9,10,11,12-pentamethylpentacyclo[5.4.1.02,6.04,9.010,12]dodecane
CID 123730283
3,3-diethyl-4,5,7,7-tetramethyltricyclo[4.1.0.02,4]heptane
CID 123223555
1,2,3-trimethylcyclopropan-1-ol
CID 91184731
1,2,4,9-tetramethyltetracyclo[6.1.1.02,7.03,6]decane
CID 123168411
1,1,2,3,4,5-hexamethylcyclopentane
CID 158781984
trans-(2R,3S)-2-fluoro-1,1,3-trimethylcyclopropane
CID 134934913
2-chloro-1,1,3-trimethylcyclopropane
CID 557870

Frequently Asked Questions

What is the IUPAC name of 4,5,6,9,10,11-hexamethylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane?
The IUPAC name of 4,5,6,9,10,11-hexamethylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane (CID 174043765) is 4,5,6,9,10,11-hexamethylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane.
What is the SMILES notation for 4,5,6,9,10,11-hexamethylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane?
The canonical SMILES for 4,5,6,9,10,11-hexamethylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane is CC1C2C3C(C)C4(C)C(C)C5C6C(C)C1(C)C26C354.
What is the InChIKey of 4,5,6,9,10,11-hexamethylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane?
The InChIKey is PSHLVPSWOPKKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-7-11-12-9(3)16(6)10(4)14-13-8(2)15(7,5)17(11,13)18(12,14)16/h7-14H,1-6H3.
What are the key properties of 4,5,6,9,10,11-hexamethylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane?
4,5,6,9,10,11-hexamethylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane has a molecular weight of 242.41 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,9,10,11-hexamethylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane is sourced from PubChem (CID 174043765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).