5,5-bis(prop-2-ynoxymethyl)nona-1,8-diyne-4,6-diol

C17H20O4 — CID 154997620

IUPAC5,5-bis(prop-2-ynoxymethyl)nona-1,8-diyne-4,6-diol
SMILESC#CCOCC(COCC#C)(C(O)CC#C)C(O)CC#C
InChIInChI=1S/C17H20O4/c1-5-9-15(18)17(13-20-11-7-3,14-21-12-8-4)16(19)10-6-2/h1-4,15-16,18-19H,9-14H2
InChIKeyHHMVROOIONRQNK-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.04
Rot. Bonds10

About 5,5-bis(prop-2-ynoxymethyl)nona-1,8-diyne-4,6-diol

5,5-bis(prop-2-ynoxymethyl)nona-1,8-diyne-4,6-diol (PubChem CID 154997620) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 5,5-bis(prop-2-ynoxymethyl)nona-1,8-diyne-4,6-diol.

Molecular Properties

Compound Name5,5-bis(prop-2-ynoxymethyl)nona-1,8-diyne-4,6-diol
PubChem CID154997620
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name5,5-bis(prop-2-ynoxymethyl)nona-1,8-diyne-4,6-diol
SMILESC#CCOCC(COCC#C)(C(O)CC#C)C(O)CC#C
InChIInChI=1S/C17H20O4/c1-5-9-15(18)17(13-20-11-7-3,14-21-12-8-4)16(19)10-6-2/h1-4,15-16,18-19H,9-14H2
InChIKeyHHMVROOIONRQNK-UHFFFAOYSA-N
XLogP0.04
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(hydroxymethyl)-2-(prop-2-ynoxymethyl)propane-1,3-diol
CID 87656113
2-amino-2-methylhex-5-yn-3-ol
CID 130589365
2-methyl-1-prop-2-ynoxypropane
CID 57470525
1,3-bis(prop-2-ynoxy)-2-(prop-2-ynoxymethyl)propan-2-amine;2-bromoacetamide
CID 87099156
2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(hydroxymethyl)-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butoxy]methyl]-2-(prop-2-ynoxymethyl)butan-1-ol
CID 162453886
1,1,1-trifluoro-2-(trifluoromethyl)hex-5-yn-3-ol
CID 103312677
difluoro-[3-prop-2-ynoxy-2,2-bis(prop-2-ynoxymethyl)propoxy]phosphane
CID 166520975
(2,2-dimethyl-3-prop-2-ynoxypropyl) 2,2-dimethyl-3-prop-2-ynoxypropanoate
CID 90225103
2-methyl-1,3-bis[2-(2-prop-2-ynoxyethoxy)ethoxy]-2-[2-(2-prop-2-ynoxyethoxy)ethoxymethyl]propane
CID 25199391
2-benzyl-1-phenyl-3-prop-2-ynoxypropan-2-ol
CID 24879567
1,3-bis(prop-2-ynoxy)propan-2-amine
CID 166692396
1-[2-[[2-[1,1-difluoro-2-(2-hydroxy-3-prop-2-ynoxypropoxy)ethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-prop-2-ynoxypropan-2-ol
CID 160721729

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(prop-2-ynoxymethyl)nona-1,8-diyne-4,6-diol?
The IUPAC name of 5,5-bis(prop-2-ynoxymethyl)nona-1,8-diyne-4,6-diol (CID 154997620) is 5,5-bis(prop-2-ynoxymethyl)nona-1,8-diyne-4,6-diol.
What is the SMILES notation for 5,5-bis(prop-2-ynoxymethyl)nona-1,8-diyne-4,6-diol?
The canonical SMILES for 5,5-bis(prop-2-ynoxymethyl)nona-1,8-diyne-4,6-diol is C#CCOCC(COCC#C)(C(O)CC#C)C(O)CC#C.
What is the InChIKey of 5,5-bis(prop-2-ynoxymethyl)nona-1,8-diyne-4,6-diol?
The InChIKey is HHMVROOIONRQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-5-9-15(18)17(13-20-11-7-3,14-21-12-8-4)16(19)10-6-2/h1-4,15-16,18-19H,9-14H2.
What are the key properties of 5,5-bis(prop-2-ynoxymethyl)nona-1,8-diyne-4,6-diol?
5,5-bis(prop-2-ynoxymethyl)nona-1,8-diyne-4,6-diol has a molecular weight of 288.34 g/mol, XLogP of 0.04, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(prop-2-ynoxymethyl)nona-1,8-diyne-4,6-diol is sourced from PubChem (CID 154997620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).