2-[10-(oxan-2-yl)deca-4,6-diynyl]oxane

C20H30O2 — CID 101132641

IUPAC2-[10-(oxan-2-yl)deca-4,6-diynyl]oxane
SMILESC(C#CCCCC1CCCCO1)#CCCCC1CCCCO1
InChIInChI=1S/C20H30O2/c1(3-5-7-13-19-15-9-11-17-21-19)2-4-6-8-14-20-16-10-12-18-22-20/h19-20H,5-18H2
InChIKeyVJTQCFGZNWEJSE-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.47
Rot. Bonds6

About 2-[10-(oxan-2-yl)deca-4,6-diynyl]oxane

2-[10-(oxan-2-yl)deca-4,6-diynyl]oxane (PubChem CID 101132641) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 2-[10-(oxan-2-yl)deca-4,6-diynyl]oxane.

Molecular Properties

Compound Name2-[10-(oxan-2-yl)deca-4,6-diynyl]oxane
PubChem CID101132641
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name2-[10-(oxan-2-yl)deca-4,6-diynyl]oxane
SMILESC(C#CCCCC1CCCCO1)#CCCCC1CCCCO1
InChIInChI=1S/C20H30O2/c1(3-5-7-13-19-15-9-11-17-21-19)2-4-6-8-14-20-16-10-12-18-22-20/h19-20H,5-18H2
InChIKeyVJTQCFGZNWEJSE-UHFFFAOYSA-N
XLogP4.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
2-(3-chloropropyl)oxane
CID 23511686
2-(3-bromopropyl)oxolane
CID 15783712
2-[3-(oxiran-2-yl)propyl]oxolane
CID 115410470
3-[(2S)-oxolan-2-yl]propanenitrile
CID 129367969
5-(oxepan-2-yl)pentanal
CID 57144478
2-(oxan-2-ylmethyl)oxane
CID 67860654
2-(4-ethenoxybutyl)oxane
CID 156762670
2-(10-ethylsulfanyldecyl)oxane
CID 23326782
N-[3-(oxan-2-yl)propyl]oxan-4-amine
CID 104627077
2-(14-hexylsulfanyltetradecyl)oxane
CID 23326746
1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine
CID 124860098

Frequently Asked Questions

What is the IUPAC name of 2-[10-(oxan-2-yl)deca-4,6-diynyl]oxane?
The IUPAC name of 2-[10-(oxan-2-yl)deca-4,6-diynyl]oxane (CID 101132641) is 2-[10-(oxan-2-yl)deca-4,6-diynyl]oxane.
What is the SMILES notation for 2-[10-(oxan-2-yl)deca-4,6-diynyl]oxane?
The canonical SMILES for 2-[10-(oxan-2-yl)deca-4,6-diynyl]oxane is C(C#CCCCC1CCCCO1)#CCCCC1CCCCO1.
What is the InChIKey of 2-[10-(oxan-2-yl)deca-4,6-diynyl]oxane?
The InChIKey is VJTQCFGZNWEJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2/c1(3-5-7-13-19-15-9-11-17-21-19)2-4-6-8-14-20-16-10-12-18-22-20/h19-20H,5-18H2.
What are the key properties of 2-[10-(oxan-2-yl)deca-4,6-diynyl]oxane?
2-[10-(oxan-2-yl)deca-4,6-diynyl]oxane has a molecular weight of 302.46 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(oxan-2-yl)deca-4,6-diynyl]oxane is sourced from PubChem (CID 101132641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).