4-(2-propylheptoxymethyl)nonane

C20H42O — CID 56652319

IUPAC4-(2-propylheptoxymethyl)nonane
SMILESCCCCCC(CCC)COCC(CCC)CCCCC
InChIInChI=1S/C20H42O/c1-5-9-11-15-19(13-7-3)17-21-18-20(14-8-4)16-12-10-6-2/h19-20H,5-18H2,1-4H3
InChIKeyIIBWEWUPWKQJAW-UHFFFAOYSA-N
MW298.55 g/mol
LogP7.00
Rot. Bonds16

About 4-(2-propylheptoxymethyl)nonane

4-(2-propylheptoxymethyl)nonane (PubChem CID 56652319) has the molecular formula C20H42O and a molecular weight of 298.55 g/mol. Its IUPAC name is 4-(2-propylheptoxymethyl)nonane.

Molecular Properties

Compound Name4-(2-propylheptoxymethyl)nonane
PubChem CID56652319
Molecular FormulaC20H42O
Molecular Weight298.55 g/mol
Exact Mass298.32
IUPAC Name4-(2-propylheptoxymethyl)nonane
SMILESCCCCCC(CCC)COCC(CCC)CCCCC
InChIInChI=1S/C20H42O/c1-5-9-11-15-19(13-7-3)17-21-18-20(14-8-4)16-12-10-6-2/h19-20H,5-18H2,1-4H3
InChIKeyIIBWEWUPWKQJAW-UHFFFAOYSA-N
XLogP7.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.55
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

15-(2-tetradecyloctadecoxymethyl)hentriacontane
CID 19909391
4-(ethoxymethyl)nonane
CID 87066523
oxirane;4-(2-propylheptoxymethyl)nonane
CID 157371001
4-(butoxymethyl)nonane
CID 87066766
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;4-(2-propylheptoxymethyl)nonane
CID 175607007
7-(2-ethylhexoxymethyl)pentadecane
CID 134599291
2-(2-propylnonoxy)ethanol
CID 168837428
10-(butoxymethyl)henicosane
CID 87840055
7-(nonoxymethyl)pentadecane
CID 86224814
6-(heptoxymethyl)tridecane
CID 87840359
9-(tetradecoxymethyl)nonadecane
CID 142746550
8-[2-[1-(2-heptyldecoxy)propan-2-yloxy]propoxymethyl]hexadecane
CID 175298314

Frequently Asked Questions

What is the IUPAC name of 4-(2-propylheptoxymethyl)nonane?
The IUPAC name of 4-(2-propylheptoxymethyl)nonane (CID 56652319) is 4-(2-propylheptoxymethyl)nonane.
What is the SMILES notation for 4-(2-propylheptoxymethyl)nonane?
The canonical SMILES for 4-(2-propylheptoxymethyl)nonane is CCCCCC(CCC)COCC(CCC)CCCCC.
What is the InChIKey of 4-(2-propylheptoxymethyl)nonane?
The InChIKey is IIBWEWUPWKQJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O/c1-5-9-11-15-19(13-7-3)17-21-18-20(14-8-4)16-12-10-6-2/h19-20H,5-18H2,1-4H3.
What are the key properties of 4-(2-propylheptoxymethyl)nonane?
4-(2-propylheptoxymethyl)nonane has a molecular weight of 298.55 g/mol, XLogP of 7.00, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propylheptoxymethyl)nonane is sourced from PubChem (CID 56652319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).