2,5,6-trimethyl-9-propoxydecane

C16H34O — CID 143799470

IUPAC2,5,6-trimethyl-9-propoxydecane
SMILESCCCOC(C)CCC(C)C(C)CCC(C)C
InChIInChI=1S/C16H34O/c1-7-12-17-16(6)11-10-15(5)14(4)9-8-13(2)3/h13-16H,7-12H2,1-6H3
InChIKeyQEFIKQSBYAZKDX-UHFFFAOYSA-N
MW242.45 g/mol
LogP5.29
Rot. Bonds10

About 2,5,6-trimethyl-9-propoxydecane

2,5,6-trimethyl-9-propoxydecane (PubChem CID 143799470) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is 2,5,6-trimethyl-9-propoxydecane.

Molecular Properties

Compound Name2,5,6-trimethyl-9-propoxydecane
PubChem CID143799470
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Name2,5,6-trimethyl-9-propoxydecane
SMILESCCCOC(C)CCC(C)C(C)CCC(C)C
InChIInChI=1S/C16H34O/c1-7-12-17-16(6)11-10-15(5)14(4)9-8-13(2)3/h13-16H,7-12H2,1-6H3
InChIKeyQEFIKQSBYAZKDX-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.45
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-4-propoxypentan-1-ol
CID 54320299
6-propoxyheptan-3-amine
CID 91107877
2-methoxy-5,6,9-trimethyldecane
CID 144623899
3-propoxy-N-(3-propoxybutyl)butan-1-amine
CID 88850441
5-propoxyhexanal
CID 57004791
(5S,6R)-2,5,6-trimethyldecane
CID 154723790
2-butoxyhexane;ethane
CID 144590910
2-[(2S)-pentan-2-yl]oxyethanol
CID 89167429
4-(3-methylbutoxy)-N-propylpentan-1-amine
CID 62445161
CID 123186156
CID 123186156
2-octan-2-yloxyethanamine
CID 43127313
1-hexan-2-yloxydecane
CID 57029724

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-9-propoxydecane?
The IUPAC name of 2,5,6-trimethyl-9-propoxydecane (CID 143799470) is 2,5,6-trimethyl-9-propoxydecane.
What is the SMILES notation for 2,5,6-trimethyl-9-propoxydecane?
The canonical SMILES for 2,5,6-trimethyl-9-propoxydecane is CCCOC(C)CCC(C)C(C)CCC(C)C.
What is the InChIKey of 2,5,6-trimethyl-9-propoxydecane?
The InChIKey is QEFIKQSBYAZKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O/c1-7-12-17-16(6)11-10-15(5)14(4)9-8-13(2)3/h13-16H,7-12H2,1-6H3.
What are the key properties of 2,5,6-trimethyl-9-propoxydecane?
2,5,6-trimethyl-9-propoxydecane has a molecular weight of 242.45 g/mol, XLogP of 5.29, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-9-propoxydecane is sourced from PubChem (CID 143799470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).