4-ethyl-6-hexan-3-yl-10-methyltridecane

C22H46 — CID 91319415

IUPAC4-ethyl-6-hexan-3-yl-10-methyltridecane
SMILESCCCC(C)CCCC(CC(CC)CCC)C(CC)CCC
InChIInChI=1S/C22H46/c1-7-13-19(6)16-12-17-22(21(11-5)15-9-3)18-20(10-4)14-8-2/h19-22H,7-18H2,1-6H3
InChIKeyKBQHEFKZOSZXTN-UHFFFAOYSA-N
MW310.61 g/mol
LogP8.25
Rot. Bonds15

About 4-ethyl-6-hexan-3-yl-10-methyltridecane

4-ethyl-6-hexan-3-yl-10-methyltridecane (PubChem CID 91319415) has the molecular formula C22H46 and a molecular weight of 310.61 g/mol. Its IUPAC name is 4-ethyl-6-hexan-3-yl-10-methyltridecane.

Molecular Properties

Compound Name4-ethyl-6-hexan-3-yl-10-methyltridecane
PubChem CID91319415
Molecular FormulaC22H46
Molecular Weight310.61 g/mol
Exact Mass310.36
IUPAC Name4-ethyl-6-hexan-3-yl-10-methyltridecane
SMILESCCCC(C)CCCC(CC(CC)CCC)C(CC)CCC
InChIInChI=1S/C22H46/c1-7-13-19(6)16-12-17-22(21(11-5)15-9-3)18-20(10-4)14-8-2/h19-22H,7-18H2,1-6H3
InChIKeyKBQHEFKZOSZXTN-UHFFFAOYSA-N
XLogP8.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.61
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 123181000
4,5,7-triethylundecane
CID 123222302
3,5-diethyl-2-methyloctane
CID 57491216
5-ethyl-4,9,10-tripropyltridecane
CID 21351361
4,6-diethyl-2,3,9-trimethyldodecane
CID 123599024
8-butan-2-yl-4-methyltetradecane
CID 123224994
8-ethyl-4-methyl-7-propyltetradecane
CID 90981946
6-ethyl-3,4,9-trimethyldodecane
CID 91130584
4-methyl-10-(2-methylheptan-4-yl)heptadecane
CID 123244941
4,5-diethylnonane
CID 21188862
4,8-diethyl-5-methylundecane
CID 59928875
6-ethyl-4-methyldecane
CID 22224210

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-hexan-3-yl-10-methyltridecane?
The IUPAC name of 4-ethyl-6-hexan-3-yl-10-methyltridecane (CID 91319415) is 4-ethyl-6-hexan-3-yl-10-methyltridecane.
What is the SMILES notation for 4-ethyl-6-hexan-3-yl-10-methyltridecane?
The canonical SMILES for 4-ethyl-6-hexan-3-yl-10-methyltridecane is CCCC(C)CCCC(CC(CC)CCC)C(CC)CCC.
What is the InChIKey of 4-ethyl-6-hexan-3-yl-10-methyltridecane?
The InChIKey is KBQHEFKZOSZXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46/c1-7-13-19(6)16-12-17-22(21(11-5)15-9-3)18-20(10-4)14-8-2/h19-22H,7-18H2,1-6H3.
What are the key properties of 4-ethyl-6-hexan-3-yl-10-methyltridecane?
4-ethyl-6-hexan-3-yl-10-methyltridecane has a molecular weight of 310.61 g/mol, XLogP of 8.25, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-hexan-3-yl-10-methyltridecane is sourced from PubChem (CID 91319415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).