2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-hexadecamethylheptadecane

C33H68 — CID 3085224

IUPAC2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-hexadecamethylheptadecane
SMILESCC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C33H68/c1-26(2,3)19-28(7,8)21-30(11,12)23-32(15,16)25-33(17,18)24-31(13,14)22-29(9,10)20-27(4,5)6/h19-25H2,1-18H3
InChIKeyUCUGLVJQUIRCPK-UHFFFAOYSA-N
MW464.91 g/mol
LogP11.97
Rot. Bonds12

About 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-hexadecamethylheptadecane

2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-hexadecamethylheptadecane (PubChem CID 3085224) has the molecular formula C33H68 and a molecular weight of 464.91 g/mol. Its IUPAC name is 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-hexadecamethylheptadecane.

Molecular Properties

Compound Name2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-hexadecamethylheptadecane
PubChem CID3085224
Molecular FormulaC33H68
Molecular Weight464.91 g/mol
Exact Mass464.53
IUPAC Name2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-hexadecamethylheptadecane
SMILESCC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)C
InChIInChI=1S/C33H68/c1-26(2,3)19-28(7,8)21-30(11,12)23-32(15,16)25-33(17,18)24-31(13,14)22-29(9,10)20-27(4,5)6/h19-25H2,1-18H3
InChIKeyUCUGLVJQUIRCPK-UHFFFAOYSA-N
XLogP11.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.91
LogP ≤ 511.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(+-)-2,2,4,4,6,8,8-Heptamethylnonane
CID 20414
2,2,4,4,6,6,8-Heptamethylnonane
CID 27137
3,3-Dimethyloctane
CID 138117
Lycopane
CID 162550
2,2,4,10,12,12-Hexamethyl-7-(3,5,5-trimethylhexyl)tridecane
CID 137802
17-n-Hexadecyltetratriacontane
CID 271338
11-n-Decyltetracosane
CID 294707
5-Ethyl-5-methyldecane
CID 28473
3-Methyltritriacontane
CID 518892
3-Methylhentriacontane
CID 521265
13-Methylhentriacontane
CID 530409
15-Methylhentriacontane
CID 6430031

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-hexadecamethylheptadecane?
The IUPAC name of 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-hexadecamethylheptadecane (CID 3085224) is 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-hexadecamethylheptadecane.
What is the SMILES notation for 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-hexadecamethylheptadecane?
The canonical SMILES for 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-hexadecamethylheptadecane is CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)C.
What is the InChIKey of 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-hexadecamethylheptadecane?
The InChIKey is UCUGLVJQUIRCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H68/c1-26(2,3)19-28(7,8)21-30(11,12)23-32(15,16)25-33(17,18)24-31(13,14)22-29(9,10)20-27(4,5)6/h19-25H2,1-18H3.
What are the key properties of 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-hexadecamethylheptadecane?
2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-hexadecamethylheptadecane has a molecular weight of 464.91 g/mol, XLogP of 11.97, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-hexadecamethylheptadecane is sourced from PubChem (CID 3085224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).