2-prop-2-ynylpent-4-yne-1,2-diol

C8H10O2 — CID 174615889

IUPAC2-prop-2-ynylpent-4-yne-1,2-diol
SMILESC#CCC(O)(CO)CC#C
InChIInChI=1S/C8H10O2/c1-3-5-8(10,7-9)6-4-2/h1-2,9-10H,5-7H2
InChIKeyXMIVAPBLPYYICA-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.24
Rot. Bonds3

About 2-prop-2-ynylpent-4-yne-1,2-diol

2-prop-2-ynylpent-4-yne-1,2-diol (PubChem CID 174615889) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-prop-2-ynylpent-4-yne-1,2-diol.

Molecular Properties

Compound Name2-prop-2-ynylpent-4-yne-1,2-diol
PubChem CID174615889
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name2-prop-2-ynylpent-4-yne-1,2-diol
SMILESC#CCC(O)(CO)CC#C
InChIInChI=1S/C8H10O2/c1-3-5-8(10,7-9)6-4-2/h1-2,9-10H,5-7H2
InChIKeyXMIVAPBLPYYICA-UHFFFAOYSA-N
XLogP-0.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.24
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

4-prop-2-ynylhepta-1,6-diyn-4-ol
CID 87493647
2,3-bis(prop-2-ynyl)hex-5-yne-1,2,3-triol
CID 175708652
2-hydroxy-2-methylpent-4-ynoic acid
CID 55302741
(3R)-2,3-dimethylhex-5-yn-3-ol
CID 101411316
3,3-dimethylhex-5-yn-1-ol
CID 58124842
4,4,4-trifluorobut-1-yne
CID 19757496
2-(2-methylidenebut-3-enyl)-2-prop-2-ynylpropane-1,3-diol
CID 121224266
2-cyclopropylpent-4-yn-2-ol
CID 10654223
4-[2-(5-methylfuran-2-yl)ethyl]hepta-1,6-diyn-4-ol
CID 102162426
2-methyl-4-(2-methylpropyl)oct-7-yn-4-ol
CID 114865146
hepta-1,6-diyne-4,4-disulfonic acid
CID 89235335
ethane-1,1,1,2-tetrol
CID 22259953

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-ynylpent-4-yne-1,2-diol?
The IUPAC name of 2-prop-2-ynylpent-4-yne-1,2-diol (CID 174615889) is 2-prop-2-ynylpent-4-yne-1,2-diol.
What is the SMILES notation for 2-prop-2-ynylpent-4-yne-1,2-diol?
The canonical SMILES for 2-prop-2-ynylpent-4-yne-1,2-diol is C#CCC(O)(CO)CC#C.
What is the InChIKey of 2-prop-2-ynylpent-4-yne-1,2-diol?
The InChIKey is XMIVAPBLPYYICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-3-5-8(10,7-9)6-4-2/h1-2,9-10H,5-7H2.
What are the key properties of 2-prop-2-ynylpent-4-yne-1,2-diol?
2-prop-2-ynylpent-4-yne-1,2-diol has a molecular weight of 138.17 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-ynylpent-4-yne-1,2-diol is sourced from PubChem (CID 174615889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).