5,5,9,13-tetramethyl-14-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane

C21H34 — CID 143424296

IUPAC5,5,9,13-tetramethyl-14-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane
SMILESC=C1C(C)C2CCC13CCC1C(C)(C)CCCC1(C)C3C2
InChIInChI=1S/C21H34/c1-14-15(2)21-11-7-16(14)13-18(21)20(5)10-6-9-19(3,4)17(20)8-12-21/h14,16-18H,2,6-13H2,1,3-5H3
InChIKeyGIXFHAZTAFDMLM-UHFFFAOYSA-N
MW286.50 g/mol
LogP6.22
Rot. Bonds

About 5,5,9,13-tetramethyl-14-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane

5,5,9,13-tetramethyl-14-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane (PubChem CID 143424296) has the molecular formula C21H34 and a molecular weight of 286.50 g/mol. Its IUPAC name is 5,5,9,13-tetramethyl-14-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane.

Molecular Properties

Compound Name5,5,9,13-tetramethyl-14-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane
PubChem CID143424296
Molecular FormulaC21H34
Molecular Weight286.50 g/mol
Exact Mass286.27
IUPAC Name5,5,9,13-tetramethyl-14-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane
SMILESC=C1C(C)C2CCC13CCC1C(C)(C)CCCC1(C)C3C2
InChIInChI=1S/C21H34/c1-14-15(2)21-11-7-16(14)13-18(21)20(5)10-6-9-19(3,4)17(20)8-12-21/h14,16-18H,2,6-13H2,1,3-5H3
InChIKeyGIXFHAZTAFDMLM-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1R,4R,9R,10S,13R,14S)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
CID 162879066
(4aS,6aS,6aR,6bR,8aR,12R,12aS,13R,14aR,14bS)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-13-ol
CID 11796713
(1S,4S,9S,10R,13R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
CID 68662989
(1S,4R,9R,10R,12R)-5,5,9-trimethyl-13-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane
CID 22295346
(4bS,10aR)-4b,8,8,10a-tetramethyl-1-methylidene-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-one
CID 135049419
(9R,12S,15S)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-12,15-diol
CID 11551249
methane;bis((1R,9R,13R)-5,5,9,13-tetramethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane)
CID 158642735
(1R,4R,9S,10R,13S)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane
CID 59445821
5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane
CID 520687
(1S,9R,10R,13R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane
CID 16667389
(4aS,4bS,8aS,10aR)-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene
CID 162890936
2,4b,8,8,10a-pentamethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthrene
CID 14264198

Frequently Asked Questions

What is the IUPAC name of 5,5,9,13-tetramethyl-14-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane?
The IUPAC name of 5,5,9,13-tetramethyl-14-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane (CID 143424296) is 5,5,9,13-tetramethyl-14-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane.
What is the SMILES notation for 5,5,9,13-tetramethyl-14-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane?
The canonical SMILES for 5,5,9,13-tetramethyl-14-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane is C=C1C(C)C2CCC13CCC1C(C)(C)CCCC1(C)C3C2.
What is the InChIKey of 5,5,9,13-tetramethyl-14-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane?
The InChIKey is GIXFHAZTAFDMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34/c1-14-15(2)21-11-7-16(14)13-18(21)20(5)10-6-9-19(3,4)17(20)8-12-21/h14,16-18H,2,6-13H2,1,3-5H3.
What are the key properties of 5,5,9,13-tetramethyl-14-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane?
5,5,9,13-tetramethyl-14-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane has a molecular weight of 286.50 g/mol, XLogP of 6.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,9,13-tetramethyl-14-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane is sourced from PubChem (CID 143424296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).