4,4,5,5,9,10-hexamethyltetracyclo[6.2.1.13,6.02,7]dodecane;methane

C19H34 — CID 160997300

IUPAC4,4,5,5,9,10-hexamethyltetracyclo[6.2.1.13,6.02,7]dodecane;methane
SMILESC.CC1C(C)C2CC1C1C2C2CC1C(C)(C)C2(C)C
InChIInChI=1S/C18H30.CH4/c1-9-10(2)12-7-11(9)15-13-8-14(16(12)15)18(5,6)17(13,3)4;/h9-16H,7-8H2,1-6H3;1H4
InChIKeyTVKLXFUXKPXENM-UHFFFAOYSA-N
MW262.48 g/mol
LogP5.48
Rot. Bonds

About 4,4,5,5,9,10-hexamethyltetracyclo[6.2.1.13,6.02,7]dodecane;methane

4,4,5,5,9,10-hexamethyltetracyclo[6.2.1.13,6.02,7]dodecane;methane (PubChem CID 160997300) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is 4,4,5,5,9,10-hexamethyltetracyclo[6.2.1.13,6.02,7]dodecane;methane.

Molecular Properties

Compound Name4,4,5,5,9,10-hexamethyltetracyclo[6.2.1.13,6.02,7]dodecane;methane
PubChem CID160997300
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Name4,4,5,5,9,10-hexamethyltetracyclo[6.2.1.13,6.02,7]dodecane;methane
SMILESC.CC1C(C)C2CC1C1C2C2CC1C(C)(C)C2(C)C
InChIInChI=1S/C18H30.CH4/c1-9-10(2)12-7-11(9)15-13-8-14(16(12)15)18(5,6)17(13,3)4;/h9-16H,7-8H2,1-6H3;1H4
InChIKeyTVKLXFUXKPXENM-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Related Compounds

4,4,5,5,9,10-hexamethyltetracyclo[6.2.1.13,6.02,7]dodecane;3,8,8,9,9-pentamethyl-5-propyltricyclo[5.2.1.02,6]decane
CID 159252719
4-(2-methoxy-2-methylpropyl)-4,5,5,9,10-pentamethyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 59872456
4,5,11,12-tetramethylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane
CID 23600006
2,3-dimethylbicyclo[2.1.0]pentane
CID 91187762
4,9,10-trimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylic acid
CID 20661446
(2R,3S,4R)-2,3,5-trimethylbicyclo[2.1.1]hexane
CID 163604694
4-fluoro-5,5,9,10-tetramethyl-4-[3,3,3-trifluoro-2-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane
CID 59986132
3,4,5-trimethylbicyclo[4.1.0]heptane-2-thiol
CID 142168890
1-methyltricyclo[2.1.0.02,5]pentane
CID 86129037
ethane;methane;bis(2,3,6,6-tetramethylbicyclo[3.1.1]heptane);yttrium
CID 157116099
2-(2-ethyl-2-methylcyclopropyl)-3-methylbicyclo[2.1.0]pentane
CID 123925093
4,5,12,12-tetramethyl-11-oxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-10-one
CID 20762822

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,9,10-hexamethyltetracyclo[6.2.1.13,6.02,7]dodecane;methane?
The IUPAC name of 4,4,5,5,9,10-hexamethyltetracyclo[6.2.1.13,6.02,7]dodecane;methane (CID 160997300) is 4,4,5,5,9,10-hexamethyltetracyclo[6.2.1.13,6.02,7]dodecane;methane.
What is the SMILES notation for 4,4,5,5,9,10-hexamethyltetracyclo[6.2.1.13,6.02,7]dodecane;methane?
The canonical SMILES for 4,4,5,5,9,10-hexamethyltetracyclo[6.2.1.13,6.02,7]dodecane;methane is C.CC1C(C)C2CC1C1C2C2CC1C(C)(C)C2(C)C.
What is the InChIKey of 4,4,5,5,9,10-hexamethyltetracyclo[6.2.1.13,6.02,7]dodecane;methane?
The InChIKey is TVKLXFUXKPXENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30.CH4/c1-9-10(2)12-7-11(9)15-13-8-14(16(12)15)18(5,6)17(13,3)4;/h9-16H,7-8H2,1-6H3;1H4.
What are the key properties of 4,4,5,5,9,10-hexamethyltetracyclo[6.2.1.13,6.02,7]dodecane;methane?
4,4,5,5,9,10-hexamethyltetracyclo[6.2.1.13,6.02,7]dodecane;methane has a molecular weight of 262.48 g/mol, XLogP of 5.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,9,10-hexamethyltetracyclo[6.2.1.13,6.02,7]dodecane;methane is sourced from PubChem (CID 160997300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).