2-(3-ethenoxypropyl)-2-ethyloxocane

C14H26O2 — CID 176604091

IUPAC2-(3-ethenoxypropyl)-2-ethyloxocane
SMILESC=COCCCC1(CC)CCCCCCO1
InChIInChI=1S/C14H26O2/c1-3-14(11-9-12-15-4-2)10-7-5-6-8-13-16-14/h4H,2-3,5-13H2,1H3
InChIKeyBOUREKSBKKHNAA-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.06
Rot. Bonds6

About 2-(3-ethenoxypropyl)-2-ethyloxocane

2-(3-ethenoxypropyl)-2-ethyloxocane (PubChem CID 176604091) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(3-ethenoxypropyl)-2-ethyloxocane.

Molecular Properties

Compound Name2-(3-ethenoxypropyl)-2-ethyloxocane
PubChem CID176604091
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-(3-ethenoxypropyl)-2-ethyloxocane
SMILESC=COCCCC1(CC)CCCCCCO1
InChIInChI=1S/C14H26O2/c1-3-14(11-9-12-15-4-2)10-7-5-6-8-13-16-14/h4H,2-3,5-13H2,1H3
InChIKeyBOUREKSBKKHNAA-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Ethenoxy-3-methyloctane
CID 18690634
2-Ethenoxy-2-methylundecane
CID 56975110
2-Ethenoxy-2-methyloctane
CID 88235710
2,7-Bis(ethenoxy)-2,7-dimethyloctane
CID 126747759
4,11-Bis(ethenoxy)-4,11-dimethyltetradecane
CID 134531184
2-(6-Ethenoxyhexyl)-2-ethyloxetane
CID 140206364
2-(5-Ethenoxypentyl)-2-ethyloxetane
CID 140206366
2-Ethenoxy-2-methyldecane
CID 150977035
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxocane
CID 176602975
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxocane
CID 176603091
2-(2-Ethenoxyethyl)-2-methyloxepane
CID 176603179
2-(3-Ethenoxypropyl)-2-ethyloxolane
CID 176603924

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenoxypropyl)-2-ethyloxocane?
The IUPAC name of 2-(3-ethenoxypropyl)-2-ethyloxocane (CID 176604091) is 2-(3-ethenoxypropyl)-2-ethyloxocane.
What is the SMILES notation for 2-(3-ethenoxypropyl)-2-ethyloxocane?
The canonical SMILES for 2-(3-ethenoxypropyl)-2-ethyloxocane is C=COCCCC1(CC)CCCCCCO1.
What is the InChIKey of 2-(3-ethenoxypropyl)-2-ethyloxocane?
The InChIKey is BOUREKSBKKHNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-14(11-9-12-15-4-2)10-7-5-6-8-13-16-14/h4H,2-3,5-13H2,1H3.
What are the key properties of 2-(3-ethenoxypropyl)-2-ethyloxocane?
2-(3-ethenoxypropyl)-2-ethyloxocane has a molecular weight of 226.36 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenoxypropyl)-2-ethyloxocane is sourced from PubChem (CID 176604091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).