oxacyclotetradecane;dihydrate

C13H30O3 — CID 173194889

IUPACoxacyclotetradecane;dihydrate
SMILESC1CCCCCCOCCCCCC1.O.O
InChIInChI=1S/C13H26O.2H2O/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1;;/h1-13H2;2*1H2
InChIKeyVQYDZLLNJOHFBG-UHFFFAOYSA-N
MW234.38 g/mol
LogP2.66
Rot. Bonds

About oxacyclotetradecane;dihydrate

oxacyclotetradecane;dihydrate (PubChem CID 173194889) has the molecular formula C13H30O3 and a molecular weight of 234.38 g/mol. Its IUPAC name is oxacyclotetradecane;dihydrate.

Molecular Properties

Compound Nameoxacyclotetradecane;dihydrate
PubChem CID173194889
Molecular FormulaC13H30O3
Molecular Weight234.38 g/mol
Exact Mass234.22
IUPAC Nameoxacyclotetradecane;dihydrate
SMILESC1CCCCCCOCCCCCC1.O.O
InChIInChI=1S/C13H26O.2H2O/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1;;/h1-13H2;2*1H2
InChIKeyVQYDZLLNJOHFBG-UHFFFAOYSA-N
XLogP2.66
TPSA72.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Decane, 1-methoxy-
CID 23716
Heptane, 1,1'-oxybis-
CID 12392
1-Methoxyoctane
CID 70247
Dodecane, 1-methoxy-
CID 77032
Heptane, 1-ethoxy-
CID 519677
1-Ethoxyoctane
CID 94664
1-Ethoxydodecane
CID 96386
Decyl ethyl ether
CID 109644
1-Methoxynonane
CID 522469
1-Methoxyundecane
CID 542197
Hexyl octyl ether
CID 519362
Octyl hydroperoxide
CID 9543006

Frequently Asked Questions

What is the IUPAC name of oxacyclotetradecane;dihydrate?
The IUPAC name of oxacyclotetradecane;dihydrate (CID 173194889) is oxacyclotetradecane;dihydrate.
What is the SMILES notation for oxacyclotetradecane;dihydrate?
The canonical SMILES for oxacyclotetradecane;dihydrate is C1CCCCCCOCCCCCC1.O.O.
What is the InChIKey of oxacyclotetradecane;dihydrate?
The InChIKey is VQYDZLLNJOHFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O.2H2O/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1;;/h1-13H2;2*1H2.
What are the key properties of oxacyclotetradecane;dihydrate?
oxacyclotetradecane;dihydrate has a molecular weight of 234.38 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxacyclotetradecane;dihydrate is sourced from PubChem (CID 173194889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).