5,11-diethyl-2,10-dimethyl-7-propyltetradecane;ethane;propane

C30H68 — CID 143978230

IUPAC5,11-diethyl-2,10-dimethyl-7-propyltetradecane;ethane;propane
SMILESCC.CC.CCC.CCCC(CCC(C)C(CC)CCC)CC(CC)CCC(C)C
InChIInChI=1S/C23H48.C3H8.2C2H6/c1-8-12-22(18-21(10-3)16-14-19(5)6)17-15-20(7)23(11-4)13-9-2;1-3-2;2*1-2/h19-23H,8-18H2,1-7H3;3H2,1-2H3;2*1-2H3
InChIKeyXPQNGEGAELFCGO-UHFFFAOYSA-N
MW428.87 g/mol
LogP11.97
Rot. Bonds15

About 5,11-diethyl-2,10-dimethyl-7-propyltetradecane;ethane;propane

5,11-diethyl-2,10-dimethyl-7-propyltetradecane;ethane;propane (PubChem CID 143978230) has the molecular formula C30H68 and a molecular weight of 428.87 g/mol. Its IUPAC name is 5,11-diethyl-2,10-dimethyl-7-propyltetradecane;ethane;propane.

Molecular Properties

Compound Name5,11-diethyl-2,10-dimethyl-7-propyltetradecane;ethane;propane
PubChem CID143978230
Molecular FormulaC30H68
Molecular Weight428.87 g/mol
Exact Mass428.53
IUPAC Name5,11-diethyl-2,10-dimethyl-7-propyltetradecane;ethane;propane
SMILESCC.CC.CCC.CCCC(CCC(C)C(CC)CCC)CC(CC)CCC(C)C
InChIInChI=1S/C23H48.C3H8.2C2H6/c1-8-12-22(18-21(10-3)16-14-19(5)6)17-15-20(7)23(11-4)13-9-2;1-3-2;2*1-2/h19-23H,8-18H2,1-7H3;3H2,1-2H3;2*1-2H3
InChIKeyXPQNGEGAELFCGO-UHFFFAOYSA-N
XLogP11.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.87
LogP ≤ 511.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,8-diethyl-5-methylundecane
CID 59928875
6-ethyl-2,5-dimethylnonane
CID 54499682
4-ethyl-2,7-dimethyloctane
CID 53423923
4,9-diethyl-6-(2-ethylpentyl)dodecane
CID 59445443
2,8-dimethyl-5-propylnonane
CID 57014492
7-ethyl-3,6-dimethyldecane
CID 57491785
3,5-diethyl-2-methyloctane
CID 57491216
1-bromo-4-ethyl-5,8-dimethylnonane
CID 89010236
4-ethyl-2-methylheptane;methane
CID 160575103
4-ethyl-6-hexan-3-yl-10-methyltridecane
CID 91319415
4-ethyl-2,8-dimethyl-5-propylnonane
CID 143343075
3,4-diethylheptane;ethane
CID 144734225

Frequently Asked Questions

What is the IUPAC name of 5,11-diethyl-2,10-dimethyl-7-propyltetradecane;ethane;propane?
The IUPAC name of 5,11-diethyl-2,10-dimethyl-7-propyltetradecane;ethane;propane (CID 143978230) is 5,11-diethyl-2,10-dimethyl-7-propyltetradecane;ethane;propane.
What is the SMILES notation for 5,11-diethyl-2,10-dimethyl-7-propyltetradecane;ethane;propane?
The canonical SMILES for 5,11-diethyl-2,10-dimethyl-7-propyltetradecane;ethane;propane is CC.CC.CCC.CCCC(CCC(C)C(CC)CCC)CC(CC)CCC(C)C.
What is the InChIKey of 5,11-diethyl-2,10-dimethyl-7-propyltetradecane;ethane;propane?
The InChIKey is XPQNGEGAELFCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48.C3H8.2C2H6/c1-8-12-22(18-21(10-3)16-14-19(5)6)17-15-20(7)23(11-4)13-9-2;1-3-2;2*1-2/h19-23H,8-18H2,1-7H3;3H2,1-2H3;2*1-2H3.
What are the key properties of 5,11-diethyl-2,10-dimethyl-7-propyltetradecane;ethane;propane?
5,11-diethyl-2,10-dimethyl-7-propyltetradecane;ethane;propane has a molecular weight of 428.87 g/mol, XLogP of 11.97, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-diethyl-2,10-dimethyl-7-propyltetradecane;ethane;propane is sourced from PubChem (CID 143978230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).