2-(10-prop-2-enoxytridecoxy)oxane

C21H40O3 — CID 11035223

IUPAC2-(10-prop-2-enoxytridecoxy)oxane
SMILESC=CCOC(CCC)CCCCCCCCCOC1CCCCO1
InChIInChI=1S/C21H40O3/c1-3-14-20(22-17-4-2)15-10-8-6-5-7-9-12-18-23-21-16-11-13-19-24-21/h4,20-21H,2-3,5-19H2,1H3
InChIKeyRLKJQUNHNAPRIH-UHFFFAOYSA-N
MW340.55 g/mol
LogP6.02
Rot. Bonds16

About 2-(10-prop-2-enoxytridecoxy)oxane

2-(10-prop-2-enoxytridecoxy)oxane (PubChem CID 11035223) has the molecular formula C21H40O3 and a molecular weight of 340.55 g/mol. Its IUPAC name is 2-(10-prop-2-enoxytridecoxy)oxane.

Molecular Properties

Compound Name2-(10-prop-2-enoxytridecoxy)oxane
PubChem CID11035223
Molecular FormulaC21H40O3
Molecular Weight340.55 g/mol
Exact Mass340.30
IUPAC Name2-(10-prop-2-enoxytridecoxy)oxane
SMILESC=CCOC(CCC)CCCCCCCCCOC1CCCCO1
InChIInChI=1S/C21H40O3/c1-3-14-20(22-17-4-2)15-10-8-6-5-7-9-12-18-23-21-16-11-13-19-24-21/h4,20-21H,2-3,5-19H2,1H3
InChIKeyRLKJQUNHNAPRIH-UHFFFAOYSA-N
XLogP6.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.55
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-methylheptoxy)oxane
CID 139685112
2-octacosoxyoxane
CID 11214102
2-[(15S)-15-methylpentacosoxy]oxane
CID 71379039
2-(10-bromotetradecoxy)oxane
CID 23365986
2-[(4R)-4-(methoxymethoxy)octadec-9-ynoxy]oxane
CID 102157587
(2S)-2-pent-4-enoxyoxane
CID 58779863
4-prop-2-enoxydecane
CID 102003307
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
2-heptadec-13-ynoxyoxane
CID 11099777
2-hexadeca-6,12-diynoxyoxane
CID 163386043
(2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane
CID 125486039
2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037

Frequently Asked Questions

What is the IUPAC name of 2-(10-prop-2-enoxytridecoxy)oxane?
The IUPAC name of 2-(10-prop-2-enoxytridecoxy)oxane (CID 11035223) is 2-(10-prop-2-enoxytridecoxy)oxane.
What is the SMILES notation for 2-(10-prop-2-enoxytridecoxy)oxane?
The canonical SMILES for 2-(10-prop-2-enoxytridecoxy)oxane is C=CCOC(CCC)CCCCCCCCCOC1CCCCO1.
What is the InChIKey of 2-(10-prop-2-enoxytridecoxy)oxane?
The InChIKey is RLKJQUNHNAPRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O3/c1-3-14-20(22-17-4-2)15-10-8-6-5-7-9-12-18-23-21-16-11-13-19-24-21/h4,20-21H,2-3,5-19H2,1H3.
What are the key properties of 2-(10-prop-2-enoxytridecoxy)oxane?
2-(10-prop-2-enoxytridecoxy)oxane has a molecular weight of 340.55 g/mol, XLogP of 6.02, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-prop-2-enoxytridecoxy)oxane is sourced from PubChem (CID 11035223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).