1-(2-ethoxy-3-isocyanopropoxy)decane

C16H31NO2 — CID 156583387

IUPAC1-(2-ethoxy-3-isocyanopropoxy)decane
SMILES[C-]#[N+]CC(COCCCCCCCCCC)OCC
InChIInChI=1S/C16H31NO2/c1-4-6-7-8-9-10-11-12-13-18-15-16(14-17-3)19-5-2/h16H,4-15H2,1-2H3
InChIKeyXETYQDRRQNCVAC-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.47
Rot. Bonds14

About 1-(2-ethoxy-3-isocyanopropoxy)decane

1-(2-ethoxy-3-isocyanopropoxy)decane (PubChem CID 156583387) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(2-ethoxy-3-isocyanopropoxy)decane.

Molecular Properties

Compound Name1-(2-ethoxy-3-isocyanopropoxy)decane
PubChem CID156583387
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-(2-ethoxy-3-isocyanopropoxy)decane
SMILES[C-]#[N+]CC(COCCCCCCCCCC)OCC
InChIInChI=1S/C16H31NO2/c1-4-6-7-8-9-10-11-12-13-18-15-16(14-17-3)19-5-2/h16H,4-15H2,1-2H3
InChIKeyXETYQDRRQNCVAC-UHFFFAOYSA-N
XLogP4.47
TPSA22.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 71331054
1-[2,3-di(octacosoxy)propoxy]octacosane
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N-(3-decoxy-2-ethoxypropyl)formamide
CID 156583393
(2-ethoxy-3-hexadecoxypropyl) methanesulfonate
CID 19965693
1-(3-hexoxy-2-methoxypropoxy)hexane
CID 163381100
1-(2-ethylbutoxy)decane
CID 22002893
1-[(2S)-2-octadecoxypentoxy]octadecane
CID 173435478
1-(2-dodecoxydecoxy)dodecane
CID 175347971
1,4-diethoxydecane
CID 140997951
3-octadecoxy-2-tetradecoxypropan-1-amine
CID 10209091
3-hexadecoxy-2-tetradecoxypropan-1-ol
CID 57128111
(2S)-2-decoxy-3-[20-[(2S)-2-decoxy-3-hydroxypropoxy]icosoxy]propan-1-ol
CID 100932836

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-3-isocyanopropoxy)decane?
The IUPAC name of 1-(2-ethoxy-3-isocyanopropoxy)decane (CID 156583387) is 1-(2-ethoxy-3-isocyanopropoxy)decane.
What is the SMILES notation for 1-(2-ethoxy-3-isocyanopropoxy)decane?
The canonical SMILES for 1-(2-ethoxy-3-isocyanopropoxy)decane is [C-]#[N+]CC(COCCCCCCCCCC)OCC.
What is the InChIKey of 1-(2-ethoxy-3-isocyanopropoxy)decane?
The InChIKey is XETYQDRRQNCVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-6-7-8-9-10-11-12-13-18-15-16(14-17-3)19-5-2/h16H,4-15H2,1-2H3.
What are the key properties of 1-(2-ethoxy-3-isocyanopropoxy)decane?
1-(2-ethoxy-3-isocyanopropoxy)decane has a molecular weight of 269.43 g/mol, XLogP of 4.47, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-3-isocyanopropoxy)decane is sourced from PubChem (CID 156583387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).