3,7,8,10,12,14-hexaethyl-2,2,4,5,6,9,11,11,13,15,16,17-dodecamethylnonadecane

C43H88 — CID 91456518

IUPAC3,7,8,10,12,14-hexaethyl-2,2,4,5,6,9,11,11,13,15,16,17-dodecamethylnonadecane
SMILESCCC(C)C(C)C(C)C(CC)C(C)C(CC)C(C)(C)C(CC)C(C)C(CC)C(CC)C(C)C(C)C(C)C(CC)C(C)(C)C
InChIInChI=1S/C43H88/c1-21-28(8)29(9)31(11)36(22-2)34(14)40(26-6)43(19,20)41(27-7)35(15)38(24-4)37(23-3)32(12)30(10)33(13)39(25-5)42(16,17)18/h28-41H,21-27H2,1-20H3
InChIKeyXKQFJJZQPOIJML-UHFFFAOYSA-N
MW605.18 g/mol
LogP14.71
Rot. Bonds21

About 3,7,8,10,12,14-hexaethyl-2,2,4,5,6,9,11,11,13,15,16,17-dodecamethylnonadecane

3,7,8,10,12,14-hexaethyl-2,2,4,5,6,9,11,11,13,15,16,17-dodecamethylnonadecane (PubChem CID 91456518) has the molecular formula C43H88 and a molecular weight of 605.18 g/mol. Its IUPAC name is 3,7,8,10,12,14-hexaethyl-2,2,4,5,6,9,11,11,13,15,16,17-dodecamethylnonadecane.

Molecular Properties

Compound Name3,7,8,10,12,14-hexaethyl-2,2,4,5,6,9,11,11,13,15,16,17-dodecamethylnonadecane
PubChem CID91456518
Molecular FormulaC43H88
Molecular Weight605.18 g/mol
Exact Mass604.69
IUPAC Name3,7,8,10,12,14-hexaethyl-2,2,4,5,6,9,11,11,13,15,16,17-dodecamethylnonadecane
SMILESCCC(C)C(C)C(C)C(CC)C(C)C(CC)C(C)(C)C(CC)C(C)C(CC)C(CC)C(C)C(C)C(C)C(CC)C(C)(C)C
InChIInChI=1S/C43H88/c1-21-28(8)29(9)31(11)36(22-2)34(14)40(26-6)43(19,20)41(27-7)35(15)38(24-4)37(23-3)32(12)30(10)33(13)39(25-5)42(16,17)18/h28-41H,21-27H2,1-20H3
InChIKeyXKQFJJZQPOIJML-UHFFFAOYSA-N
XLogP14.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.18
LogP ≤ 514.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,7,8,10,12,14-hexaethyl-2,2,4,5,6,9,11,11,13,15,16,17-dodecamethylnonadecane with MolForge

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Related Compounds

3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
3-ethyl-2,2,4,5-tetramethylhexane
CID 53428653
ethane;3,4,5,6,7,8,8,9,10,11,12,13,14-tridecamethylhexadecane
CID 159389585
2,2,3,4,5-pentamethylheptane
CID 53428630
ethane;3,4,5,6,7,8,9,10,11-nonamethyltridecane;sulfane;3,4,5,6-tetramethyloctane;tungsten
CID 162191243
3,5-diethyl-4,6,7-trimethylnonane
CID 123912873
(4S)-2,3,4-trimethylhexane
CID 58359072
3-ethyl-3,4,6,7,8-pentamethyldecane
CID 123231235
3-ethyl-2,2,4-trimethylheptane
CID 22354769
(4S)-3-ethyl-2,4-dimethylhexane
CID 59911226
3,4,5,6,8-pentamethyldecane
CID 123810037
3-ethyl-2,2,4,6-tetramethyloctane
CID 57492379

Frequently Asked Questions

What is the IUPAC name of 3,7,8,10,12,14-hexaethyl-2,2,4,5,6,9,11,11,13,15,16,17-dodecamethylnonadecane?
The IUPAC name of 3,7,8,10,12,14-hexaethyl-2,2,4,5,6,9,11,11,13,15,16,17-dodecamethylnonadecane (CID 91456518) is 3,7,8,10,12,14-hexaethyl-2,2,4,5,6,9,11,11,13,15,16,17-dodecamethylnonadecane.
What is the SMILES notation for 3,7,8,10,12,14-hexaethyl-2,2,4,5,6,9,11,11,13,15,16,17-dodecamethylnonadecane?
The canonical SMILES for 3,7,8,10,12,14-hexaethyl-2,2,4,5,6,9,11,11,13,15,16,17-dodecamethylnonadecane is CCC(C)C(C)C(C)C(CC)C(C)C(CC)C(C)(C)C(CC)C(C)C(CC)C(CC)C(C)C(C)C(C)C(CC)C(C)(C)C.
What is the InChIKey of 3,7,8,10,12,14-hexaethyl-2,2,4,5,6,9,11,11,13,15,16,17-dodecamethylnonadecane?
The InChIKey is XKQFJJZQPOIJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H88/c1-21-28(8)29(9)31(11)36(22-2)34(14)40(26-6)43(19,20)41(27-7)35(15)38(24-4)37(23-3)32(12)30(10)33(13)39(25-5)42(16,17)18/h28-41H,21-27H2,1-20H3.
What are the key properties of 3,7,8,10,12,14-hexaethyl-2,2,4,5,6,9,11,11,13,15,16,17-dodecamethylnonadecane?
3,7,8,10,12,14-hexaethyl-2,2,4,5,6,9,11,11,13,15,16,17-dodecamethylnonadecane has a molecular weight of 605.18 g/mol, XLogP of 14.71, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,8,10,12,14-hexaethyl-2,2,4,5,6,9,11,11,13,15,16,17-dodecamethylnonadecane is sourced from PubChem (CID 91456518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).