oxirane;4-(2-propylheptoxymethyl)nonane

C22H46O2 — CID 157371001

IUPACoxirane;4-(2-propylheptoxymethyl)nonane
SMILESC1CO1.CCCCCC(CCC)COCC(CCC)CCCCC
InChIInChI=1S/C20H42O.C2H4O/c1-5-9-11-15-19(13-7-3)17-21-18-20(14-8-4)16-12-10-6-2;1-2-3-1/h19-20H,5-18H2,1-4H3;1-2H2
InChIKeyBJTLPFMFEFGEJC-UHFFFAOYSA-N
MW342.61 g/mol
LogP7.01
Rot. Bonds16

About oxirane;4-(2-propylheptoxymethyl)nonane

oxirane;4-(2-propylheptoxymethyl)nonane (PubChem CID 157371001) has the molecular formula C22H46O2 and a molecular weight of 342.61 g/mol. Its IUPAC name is oxirane;4-(2-propylheptoxymethyl)nonane.

Molecular Properties

Compound Nameoxirane;4-(2-propylheptoxymethyl)nonane
PubChem CID157371001
Molecular FormulaC22H46O2
Molecular Weight342.61 g/mol
Exact Mass342.35
IUPAC Nameoxirane;4-(2-propylheptoxymethyl)nonane
SMILESC1CO1.CCCCCC(CCC)COCC(CCC)CCCCC
InChIInChI=1S/C20H42O.C2H4O/c1-5-9-11-15-19(13-7-3)17-21-18-20(14-8-4)16-12-10-6-2;1-2-3-1/h19-20H,5-18H2,1-4H3;1-2H2
InChIKeyBJTLPFMFEFGEJC-UHFFFAOYSA-N
XLogP7.01
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.61
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-propylheptoxymethyl)nonane
CID 56652319
15-(2-tetradecyloctadecoxymethyl)hentriacontane
CID 19909391
4-(ethoxymethyl)nonane
CID 87066523
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 oxirane;4-(2-propylheptoxymethyl)nonane?
The IUPAC name of oxirane;4-(2-propylheptoxymethyl)nonane (CID 157371001) is oxirane;4-(2-propylheptoxymethyl)nonane.
What is the SMILES notation for oxirane;4-(2-propylheptoxymethyl)nonane?
The canonical SMILES for oxirane;4-(2-propylheptoxymethyl)nonane is C1CO1.CCCCCC(CCC)COCC(CCC)CCCCC.
What is the InChIKey of oxirane;4-(2-propylheptoxymethyl)nonane?
The InChIKey is BJTLPFMFEFGEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O.C2H4O/c1-5-9-11-15-19(13-7-3)17-21-18-20(14-8-4)16-12-10-6-2;1-2-3-1/h19-20H,5-18H2,1-4H3;1-2H2.
What are the key properties of oxirane;4-(2-propylheptoxymethyl)nonane?
oxirane;4-(2-propylheptoxymethyl)nonane has a molecular weight of 342.61 g/mol, XLogP of 7.01, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxirane;4-(2-propylheptoxymethyl)nonane is sourced from PubChem (CID 157371001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).