3,7-diethyl-5-pentan-3-ylnonane

C18H38 — CID 173210020

IUPAC3,7-diethyl-5-pentan-3-ylnonane
SMILESCCC(CC)CC(CC(CC)CC)C(CC)CC
InChIInChI=1S/C18H38/c1-7-15(8-2)13-18(17(11-5)12-6)14-16(9-3)10-4/h15-18H,7-14H2,1-6H3
InChIKeyUOHPCMPFKWSDDD-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.69
Rot. Bonds11

About 3,7-diethyl-5-pentan-3-ylnonane

3,7-diethyl-5-pentan-3-ylnonane (PubChem CID 173210020) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 3,7-diethyl-5-pentan-3-ylnonane.

Molecular Properties

Compound Name3,7-diethyl-5-pentan-3-ylnonane
PubChem CID173210020
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name3,7-diethyl-5-pentan-3-ylnonane
SMILESCCC(CC)CC(CC(CC)CC)C(CC)CC
InChIInChI=1S/C18H38/c1-7-15(8-2)13-18(17(11-5)12-6)14-16(9-3)10-4/h15-18H,7-14H2,1-6H3
InChIKeyUOHPCMPFKWSDDD-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-ethyl-2-methyl-4-pentan-3-yloctane
CID 123821034
3,5-diethyl-N-methylheptan-2-amine
CID 82928045
3,4-diethylhexane;ethane
CID 178112158
3,5-diethyl-N-propylheptan-2-amine
CID 82928149
3,5-diethylheptan-2-yl-methyl-propyloxidanium
CID 90803998
3,5-diethyl-2-methyloctane
CID 57491216
(5S)-3-ethyl-5-methylheptane
CID 59094044
3-ethyl-1,1-difluoropentane
CID 121258317
bis(4-ethyl-2-methylhexane);2-methylbutane
CID 161441490
4,6-diethyl-2,3,9-trimethyldodecane
CID 123599024
4-ethyl-6-hexan-3-yl-10-methyltridecane
CID 91319415
4,5,7-triethylundecane
CID 123222302

Frequently Asked Questions

What is the IUPAC name of 3,7-diethyl-5-pentan-3-ylnonane?
The IUPAC name of 3,7-diethyl-5-pentan-3-ylnonane (CID 173210020) is 3,7-diethyl-5-pentan-3-ylnonane.
What is the SMILES notation for 3,7-diethyl-5-pentan-3-ylnonane?
The canonical SMILES for 3,7-diethyl-5-pentan-3-ylnonane is CCC(CC)CC(CC(CC)CC)C(CC)CC.
What is the InChIKey of 3,7-diethyl-5-pentan-3-ylnonane?
The InChIKey is UOHPCMPFKWSDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-7-15(8-2)13-18(17(11-5)12-6)14-16(9-3)10-4/h15-18H,7-14H2,1-6H3.
What are the key properties of 3,7-diethyl-5-pentan-3-ylnonane?
3,7-diethyl-5-pentan-3-ylnonane has a molecular weight of 254.50 g/mol, XLogP of 6.69, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diethyl-5-pentan-3-ylnonane is sourced from PubChem (CID 173210020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).