2,3,6,7-tetramethyl-5-propylnonane

C16H34 — CID 91235316

IUPAC2,3,6,7-tetramethyl-5-propylnonane
SMILESCCCC(CC(C)C(C)C)C(C)C(C)CC
InChIInChI=1S/C16H34/c1-8-10-16(11-14(6)12(3)4)15(7)13(5)9-2/h12-16H,8-11H2,1-7H3
InChIKeyPEGWKONIYJYKOZ-UHFFFAOYSA-N
MW226.45 g/mol
LogP5.77
Rot. Bonds8

About 2,3,6,7-tetramethyl-5-propylnonane

2,3,6,7-tetramethyl-5-propylnonane (PubChem CID 91235316) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 2,3,6,7-tetramethyl-5-propylnonane.

Molecular Properties

Compound Name2,3,6,7-tetramethyl-5-propylnonane
PubChem CID91235316
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name2,3,6,7-tetramethyl-5-propylnonane
SMILESCCCC(CC(C)C(C)C)C(C)C(C)CC
InChIInChI=1S/C16H34/c1-8-10-16(11-14(6)12(3)4)15(7)13(5)9-2/h12-16H,8-11H2,1-7H3
InChIKeyPEGWKONIYJYKOZ-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-ethyl-2,3,6,9-tetramethyl-4-propyldecane
CID 171102874
bis(2,3-dimethylpentane);ethane;bis(2-methylbutane);bis(2-methylpentane)
CID 160533172
4,5-diethyloctane
CID 519254
3,4,6,7-tetramethyl-5-propylnonane
CID 91018101
3,4-dimethylhexane;3-ethyl-2-methylhexane;2,3,4-trimethylheptane
CID 153382410
(3R)-3-ethyl-2-methylhexane
CID 59954424
ethane;4-ethyl-2,3-dimethylheptane
CID 142330758
5-ethyl-2,6,7-trimethyldecane
CID 123648141
2,3,4,7-tetramethyl-5-propyldecane
CID 91020847
3,4,5,6,7,8,9,10,11,12,13,14,16-tridecamethylnonadecane
CID 59966829
(4S)-2,3,4-trimethylhexane
CID 58359072
7-ethyl-3,4,5,9-tetramethyl-8-propan-2-ylundecane
CID 90819140

Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetramethyl-5-propylnonane?
The IUPAC name of 2,3,6,7-tetramethyl-5-propylnonane (CID 91235316) is 2,3,6,7-tetramethyl-5-propylnonane.
What is the SMILES notation for 2,3,6,7-tetramethyl-5-propylnonane?
The canonical SMILES for 2,3,6,7-tetramethyl-5-propylnonane is CCCC(CC(C)C(C)C)C(C)C(C)CC.
What is the InChIKey of 2,3,6,7-tetramethyl-5-propylnonane?
The InChIKey is PEGWKONIYJYKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-8-10-16(11-14(6)12(3)4)15(7)13(5)9-2/h12-16H,8-11H2,1-7H3.
What are the key properties of 2,3,6,7-tetramethyl-5-propylnonane?
2,3,6,7-tetramethyl-5-propylnonane has a molecular weight of 226.45 g/mol, XLogP of 5.77, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetramethyl-5-propylnonane is sourced from PubChem (CID 91235316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).