2-dodeca-2,7-diynoxyoxane

C17H26O2 — CID 57283725

IUPAC2-dodeca-2,7-diynoxyoxane
SMILESCCCCC#CCCCC#CCOC1CCCCO1
InChIInChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h17H,2-4,7-9,11,13-16H2,1H3
InChIKeyHXOCBMFWOXDPDH-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.90
Rot. Bonds6

About 2-dodeca-2,7-diynoxyoxane

2-dodeca-2,7-diynoxyoxane (PubChem CID 57283725) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-dodeca-2,7-diynoxyoxane.

Molecular Properties

Compound Name2-dodeca-2,7-diynoxyoxane
PubChem CID57283725
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-dodeca-2,7-diynoxyoxane
SMILESCCCCC#CCCCC#CCOC1CCCCO1
InChIInChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h17H,2-4,7-9,11,13-16H2,1H3
InChIKeyHXOCBMFWOXDPDH-UHFFFAOYSA-N
XLogP3.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.90
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-hex-2-ynoxyoxane
CID 11041365
2-octadeca-2,5,8-triynoxyoxane
CID 11099965
(2R)-2-(6-iodohex-2-ynoxy)oxane
CID 124672395
2-(6-bromohex-2-ynoxy)oxane
CID 10801356
2-(7,7,7-trimethoxyhept-2-ynoxy)oxane
CID 71335420
(2S)-2-tridec-6-ynoxyoxane
CID 124565996
2-(4-ethoxybut-2-ynoxy)oxane
CID 68529463
2-heptadec-13-ynoxyoxane
CID 11099777
2-hexadeca-6,12-diynoxyoxane
CID 163386043
2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane
CID 86101996
9-[(2R)-oxan-2-yl]oxynon-7-ynoic acid
CID 94037813
2-[(E)-undec-2-en-5-ynoxy]oxane
CID 134976144

Frequently Asked Questions

What is the IUPAC name of 2-dodeca-2,7-diynoxyoxane?
The IUPAC name of 2-dodeca-2,7-diynoxyoxane (CID 57283725) is 2-dodeca-2,7-diynoxyoxane.
What is the SMILES notation for 2-dodeca-2,7-diynoxyoxane?
The canonical SMILES for 2-dodeca-2,7-diynoxyoxane is CCCCC#CCCCC#CCOC1CCCCO1.
What is the InChIKey of 2-dodeca-2,7-diynoxyoxane?
The InChIKey is HXOCBMFWOXDPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-2-3-4-5-6-7-8-9-10-12-15-18-17-14-11-13-16-19-17/h17H,2-4,7-9,11,13-16H2,1H3.
What are the key properties of 2-dodeca-2,7-diynoxyoxane?
2-dodeca-2,7-diynoxyoxane has a molecular weight of 262.39 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodeca-2,7-diynoxyoxane is sourced from PubChem (CID 57283725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).