2,3,5,5,8,8,9,9,12,12-decamethyl-1,2,3,4,4a,5a,6,6a,7,10,10a,11,11a,12a-tetradecahydrotetracene

C28H50 — CID 22894527

IUPAC2,3,5,5,8,8,9,9,12,12-decamethyl-1,2,3,4,4a,5a,6,6a,7,10,10a,11,11a,12a-tetradecahydrotetracene
SMILESCC1CC2C(CC1C)C(C)(C)C1CC3CC(C)(C)C(C)(C)CC3CC1C2(C)C
InChIInChI=1S/C28H50/c1-17-11-21-22(12-18(17)2)28(9,10)24-14-20-16-26(5,6)25(3,4)15-19(20)13-23(24)27(21,7)8/h17-24H,11-16H2,1-10H3
InChIKeyLZKORVDXYTYKKP-UHFFFAOYSA-N
MW386.71 g/mol
LogP8.46
Rot. Bonds

About 2,3,5,5,8,8,9,9,12,12-decamethyl-1,2,3,4,4a,5a,6,6a,7,10,10a,11,11a,12a-tetradecahydrotetracene

2,3,5,5,8,8,9,9,12,12-decamethyl-1,2,3,4,4a,5a,6,6a,7,10,10a,11,11a,12a-tetradecahydrotetracene (PubChem CID 22894527) has the molecular formula C28H50 and a molecular weight of 386.71 g/mol. Its IUPAC name is 2,3,5,5,8,8,9,9,12,12-decamethyl-1,2,3,4,4a,5a,6,6a,7,10,10a,11,11a,12a-tetradecahydrotetracene.

Molecular Properties

Compound Name2,3,5,5,8,8,9,9,12,12-decamethyl-1,2,3,4,4a,5a,6,6a,7,10,10a,11,11a,12a-tetradecahydrotetracene
PubChem CID22894527
Molecular FormulaC28H50
Molecular Weight386.71 g/mol
Exact Mass386.39
IUPAC Name2,3,5,5,8,8,9,9,12,12-decamethyl-1,2,3,4,4a,5a,6,6a,7,10,10a,11,11a,12a-tetradecahydrotetracene
SMILESCC1CC2C(CC1C)C(C)(C)C1CC3CC(C)(C)C(C)(C)CC3CC1C2(C)C
InChIInChI=1S/C28H50/c1-17-11-21-22(12-18(17)2)28(9,10)24-14-20-16-26(5,6)25(3,4)15-19(20)13-23(24)27(21,7)8/h17-24H,11-16H2,1-10H3
InChIKeyLZKORVDXYTYKKP-UHFFFAOYSA-N
XLogP8.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.71
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3,5,5,8,8,9,9,12,12-decamethyl-1,2,3,4,4a,5a,6,6a,7,10,10a,11,11a,12a-tetradecahydrotetracene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,5,8,8,9,9,12,12-decamethyl-1,2,3,4,4a,5a,6,6a,7,10,10a,11,11a,12a-tetradecahydrotetracene?
The IUPAC name of 2,3,5,5,8,8,9,9,12,12-decamethyl-1,2,3,4,4a,5a,6,6a,7,10,10a,11,11a,12a-tetradecahydrotetracene (CID 22894527) is 2,3,5,5,8,8,9,9,12,12-decamethyl-1,2,3,4,4a,5a,6,6a,7,10,10a,11,11a,12a-tetradecahydrotetracene.
What is the SMILES notation for 2,3,5,5,8,8,9,9,12,12-decamethyl-1,2,3,4,4a,5a,6,6a,7,10,10a,11,11a,12a-tetradecahydrotetracene?
The canonical SMILES for 2,3,5,5,8,8,9,9,12,12-decamethyl-1,2,3,4,4a,5a,6,6a,7,10,10a,11,11a,12a-tetradecahydrotetracene is CC1CC2C(CC1C)C(C)(C)C1CC3CC(C)(C)C(C)(C)CC3CC1C2(C)C.
What is the InChIKey of 2,3,5,5,8,8,9,9,12,12-decamethyl-1,2,3,4,4a,5a,6,6a,7,10,10a,11,11a,12a-tetradecahydrotetracene?
The InChIKey is LZKORVDXYTYKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50/c1-17-11-21-22(12-18(17)2)28(9,10)24-14-20-16-26(5,6)25(3,4)15-19(20)13-23(24)27(21,7)8/h17-24H,11-16H2,1-10H3.
What are the key properties of 2,3,5,5,8,8,9,9,12,12-decamethyl-1,2,3,4,4a,5a,6,6a,7,10,10a,11,11a,12a-tetradecahydrotetracene?
2,3,5,5,8,8,9,9,12,12-decamethyl-1,2,3,4,4a,5a,6,6a,7,10,10a,11,11a,12a-tetradecahydrotetracene has a molecular weight of 386.71 g/mol, XLogP of 8.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,5,8,8,9,9,12,12-decamethyl-1,2,3,4,4a,5a,6,6a,7,10,10a,11,11a,12a-tetradecahydrotetracene is sourced from PubChem (CID 22894527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).