7,12,15,16-tetraethyl-2,3,4,6,8,10,11,14-octamethyloctadecane

C34H70 — CID 58013693

IUPAC7,12,15,16-tetraethyl-2,3,4,6,8,10,11,14-octamethyloctadecane
SMILESCCC(CC(C)C(CC)C(CC)CC)C(C)C(C)CC(C)C(CC)C(C)CC(C)C(C)C(C)C
InChIInChI=1S/C34H70/c1-15-31(16-2)34(19-5)28(12)22-32(17-3)30(14)25(9)21-27(11)33(18-4)26(10)20-24(8)29(13)23(6)7/h23-34H,15-22H2,1-14H3
InChIKeySMDHNQWRIAUCIJ-UHFFFAOYSA-N
MW478.93 g/mol
LogP11.78
Rot. Bonds19

About 7,12,15,16-tetraethyl-2,3,4,6,8,10,11,14-octamethyloctadecane

7,12,15,16-tetraethyl-2,3,4,6,8,10,11,14-octamethyloctadecane (PubChem CID 58013693) has the molecular formula C34H70 and a molecular weight of 478.93 g/mol. Its IUPAC name is 7,12,15,16-tetraethyl-2,3,4,6,8,10,11,14-octamethyloctadecane.

Molecular Properties

Compound Name7,12,15,16-tetraethyl-2,3,4,6,8,10,11,14-octamethyloctadecane
PubChem CID58013693
Molecular FormulaC34H70
Molecular Weight478.93 g/mol
Exact Mass478.55
IUPAC Name7,12,15,16-tetraethyl-2,3,4,6,8,10,11,14-octamethyloctadecane
SMILESCCC(CC(C)C(CC)C(CC)CC)C(C)C(C)CC(C)C(CC)C(C)CC(C)C(C)C(C)C
InChIInChI=1S/C34H70/c1-15-31(16-2)34(19-5)28(12)22-32(17-3)30(14)25(9)21-27(11)33(18-4)26(10)20-24(8)29(13)23(6)7/h23-34H,15-22H2,1-14H3
InChIKeySMDHNQWRIAUCIJ-UHFFFAOYSA-N
XLogP11.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.93
LogP ≤ 511.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7,12,15,16-tetraethyl-2,3,4,6,8,10,11,14-octamethyloctadecane with MolForge

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Related Compounds

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5-ethyl-2,3,4-trimethylheptane
CID 53428868
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,22,23,24,25,26,27,28,29,30,31,32-triacontamethyltritriacontane
CID 20659071
4-ethyl-5,7-dimethyl-8-propan-2-ylundecane
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CID 123162737

Frequently Asked Questions

What is the IUPAC name of 7,12,15,16-tetraethyl-2,3,4,6,8,10,11,14-octamethyloctadecane?
The IUPAC name of 7,12,15,16-tetraethyl-2,3,4,6,8,10,11,14-octamethyloctadecane (CID 58013693) is 7,12,15,16-tetraethyl-2,3,4,6,8,10,11,14-octamethyloctadecane.
What is the SMILES notation for 7,12,15,16-tetraethyl-2,3,4,6,8,10,11,14-octamethyloctadecane?
The canonical SMILES for 7,12,15,16-tetraethyl-2,3,4,6,8,10,11,14-octamethyloctadecane is CCC(CC(C)C(CC)C(CC)CC)C(C)C(C)CC(C)C(CC)C(C)CC(C)C(C)C(C)C.
What is the InChIKey of 7,12,15,16-tetraethyl-2,3,4,6,8,10,11,14-octamethyloctadecane?
The InChIKey is SMDHNQWRIAUCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H70/c1-15-31(16-2)34(19-5)28(12)22-32(17-3)30(14)25(9)21-27(11)33(18-4)26(10)20-24(8)29(13)23(6)7/h23-34H,15-22H2,1-14H3.
What are the key properties of 7,12,15,16-tetraethyl-2,3,4,6,8,10,11,14-octamethyloctadecane?
7,12,15,16-tetraethyl-2,3,4,6,8,10,11,14-octamethyloctadecane has a molecular weight of 478.93 g/mol, XLogP of 11.78, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,12,15,16-tetraethyl-2,3,4,6,8,10,11,14-octamethyloctadecane is sourced from PubChem (CID 58013693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).