dec-4-yne-3,7-diol

C10H18O2 — CID 123581692

IUPACdec-4-yne-3,7-diol
SMILESCCCC(O)CC#CC(O)CC
InChIInChI=1S/C10H18O2/c1-3-6-10(12)8-5-7-9(11)4-2/h9-12H,3-4,6,8H2,1-2H3
InChIKeyWLVWSKWZYHYBAB-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.31
Rot. Bonds4

About dec-4-yne-3,7-diol

dec-4-yne-3,7-diol (PubChem CID 123581692) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is dec-4-yne-3,7-diol.

Molecular Properties

Compound Namedec-4-yne-3,7-diol
PubChem CID123581692
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Namedec-4-yne-3,7-diol
SMILESCCCC(O)CC#CC(O)CC
InChIInChI=1S/C10H18O2/c1-3-6-10(12)8-5-7-9(11)4-2/h9-12H,3-4,6,8H2,1-2H3
InChIKeyWLVWSKWZYHYBAB-UHFFFAOYSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-hept-4-yn-3-ol
CID 7010447
(4S)-hex-2-yne-1,4-diol
CID 102369829
8,8,8-trifluorooct-6-yn-4-ol
CID 154382545
hexan-3-ol
CID 12178
hexan-3-ol;λ2-plumbane
CID 174675580
(4R,8R)-undecane-4,8-diol
CID 101372142
(2R)-hept-3-yn-2-ol
CID 11457676
octane-3,5-diol;scandium
CID 164810284
undec-2-yne-1,5-diol
CID 14791778
tetracos-13-yn-12-ol
CID 169488986
heptacos-10-yn-9-ol
CID 11058298
1-bromonon-2-yn-4-ol
CID 71364763

Frequently Asked Questions

What is the IUPAC name of dec-4-yne-3,7-diol?
The IUPAC name of dec-4-yne-3,7-diol (CID 123581692) is dec-4-yne-3,7-diol.
What is the SMILES notation for dec-4-yne-3,7-diol?
The canonical SMILES for dec-4-yne-3,7-diol is CCCC(O)CC#CC(O)CC.
What is the InChIKey of dec-4-yne-3,7-diol?
The InChIKey is WLVWSKWZYHYBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-6-10(12)8-5-7-9(11)4-2/h9-12H,3-4,6,8H2,1-2H3.
What are the key properties of dec-4-yne-3,7-diol?
dec-4-yne-3,7-diol has a molecular weight of 170.25 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dec-4-yne-3,7-diol is sourced from PubChem (CID 123581692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).