1,2,3,4,4,5,5,6,7,8,8,9,10,11,11,13-hexadecamethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane

C29H50 — CID 123620916

IUPAC1,2,3,4,4,5,5,6,7,8,8,9,10,11,11,13-hexadecamethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane
SMILESCC1(C)CC2(C)C1(C)C1(C)C(C)(C)C3(C)C4(C)C(C)(C)C(C)(C)C4(C)C3(C)C21C
InChIInChI=1S/C29H50/c1-18(2)17-22(9)23(18,10)26(13)21(7,8)27(14)24(11)19(3,4)20(5,6)25(24,12)29(27,16)28(22,26)15/h17H2,1-16H3
InChIKeyHJEZEBYFWPAALV-UHFFFAOYSA-N
MW398.72 g/mol
LogP8.60
Rot. Bonds

About 1,2,3,4,4,5,5,6,7,8,8,9,10,11,11,13-hexadecamethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane

1,2,3,4,4,5,5,6,7,8,8,9,10,11,11,13-hexadecamethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane (PubChem CID 123620916) has the molecular formula C29H50 and a molecular weight of 398.72 g/mol. Its IUPAC name is 1,2,3,4,4,5,5,6,7,8,8,9,10,11,11,13-hexadecamethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane.

Molecular Properties

Compound Name1,2,3,4,4,5,5,6,7,8,8,9,10,11,11,13-hexadecamethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane
PubChem CID123620916
Molecular FormulaC29H50
Molecular Weight398.72 g/mol
Exact Mass398.39
IUPAC Name1,2,3,4,4,5,5,6,7,8,8,9,10,11,11,13-hexadecamethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane
SMILESCC1(C)CC2(C)C1(C)C1(C)C(C)(C)C3(C)C4(C)C(C)(C)C(C)(C)C4(C)C3(C)C21C
InChIInChI=1S/C29H50/c1-18(2)17-22(9)23(18,10)26(13)21(7,8)27(14)24(11)19(3,4)20(5,6)25(24,12)29(27,16)28(22,26)15/h17H2,1-16H3
InChIKeyHJEZEBYFWPAALV-UHFFFAOYSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.72
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3,4,4,5,5,6,7,8,8,9,10,11,11,13-hexadecamethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane with MolForge

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Related Compounds

1,2,3,4,5,6,7,8,8,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,24,25,26,27,28,29-triacontamethyl-22,23-di(propan-2-yl)tridecacyclo[14.13.0.02,15.03,14.04,13.05,12.06,11.07,10.017,29.018,28.019,27.020,26.021,25]nonacosane
CID 123667893
1,2,3,4,4,5,5,6,6,7,8,9,9,10,11,12,13,13,14,14,15,16-docosamethylhexacyclo[8.6.0.02,8.03,7.011,16.012,15]hexadecane
CID 123205214
1,2,3,4,4,5,5,6,7,8,9,10,10,11,11,12,12,13,14,14,15,15-docosamethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
CID 58944237
1,2,3,3,5,6,7,8,9,10-decamethyltetracyclo[4.4.0.02,5.07,10]decane
CID 123585245
1,2,3,3,5,6,7,8-octamethyltricyclo[4.2.0.02,5]octane
CID 91455245
1,2,3,4,4,5,5,6,7,8,9,10,11,12,13,14-hexadecamethylhexacyclo[6.6.0.02,7.03,6.09,14.010,13]tetradecane
CID 123795452
1,2,3,4,5,6,7,8-octamethylcubane;hydrofluoride
CID 69033861
1,2,2,3,4,4,5,6,6-nonamethyl-3-azabicyclo[3.1.0]hexane
CID 20702447
1,2,3,4,4,5,6,7,8,9,9,10,11,12,13,14,14,15,16,17,18,19,19,20-tetracosamethyltricosacyclo[18.16.0.02,35.03,33.05,35.06,33.07,32.08,31.010,31.011,30.012,27.013,26.015,26.016,25.017,24.018,21.021,24.023,28.023,34.025,28.027,30.029,32.029,34]hexatriacontane
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1,1-difluoro-2,2,3,3-tetramethylcyclobutane
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CID 168910371

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4,5,5,6,7,8,8,9,10,11,11,13-hexadecamethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane?
The IUPAC name of 1,2,3,4,4,5,5,6,7,8,8,9,10,11,11,13-hexadecamethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane (CID 123620916) is 1,2,3,4,4,5,5,6,7,8,8,9,10,11,11,13-hexadecamethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane.
What is the SMILES notation for 1,2,3,4,4,5,5,6,7,8,8,9,10,11,11,13-hexadecamethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane?
The canonical SMILES for 1,2,3,4,4,5,5,6,7,8,8,9,10,11,11,13-hexadecamethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane is CC1(C)CC2(C)C1(C)C1(C)C(C)(C)C3(C)C4(C)C(C)(C)C(C)(C)C4(C)C3(C)C21C.
What is the InChIKey of 1,2,3,4,4,5,5,6,7,8,8,9,10,11,11,13-hexadecamethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane?
The InChIKey is HJEZEBYFWPAALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H50/c1-18(2)17-22(9)23(18,10)26(13)21(7,8)27(14)24(11)19(3,4)20(5,6)25(24,12)29(27,16)28(22,26)15/h17H2,1-16H3.
What are the key properties of 1,2,3,4,4,5,5,6,7,8,8,9,10,11,11,13-hexadecamethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane?
1,2,3,4,4,5,5,6,7,8,8,9,10,11,11,13-hexadecamethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane has a molecular weight of 398.72 g/mol, XLogP of 8.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4,5,5,6,7,8,8,9,10,11,11,13-hexadecamethylpentacyclo[7.4.0.02,7.03,6.010,13]tridecane is sourced from PubChem (CID 123620916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).