(Z)-2-prop-1-ynylprop-1-ene-1,3-diol

C6H8O2 — CID 142132001

IUPAC(Z)-2-prop-1-ynylprop-1-ene-1,3-diol
SMILESCC#C/C(=C/O)CO
InChIInChI=1S/C6H8O2/c1-2-3-6(4-7)5-8/h4,7-8H,5H2,1H3/b6-4-
InChIKeyRPCBVHCPFNUEKT-XQRVVYSFSA-N
MW112.13 g/mol
LogP0.44
Rot. Bonds1

About (Z)-2-prop-1-ynylprop-1-ene-1,3-diol

(Z)-2-prop-1-ynylprop-1-ene-1,3-diol (PubChem CID 142132001) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is (Z)-2-prop-1-ynylprop-1-ene-1,3-diol.

Molecular Properties

Compound Name(Z)-2-prop-1-ynylprop-1-ene-1,3-diol
PubChem CID142132001
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name(Z)-2-prop-1-ynylprop-1-ene-1,3-diol
SMILESCC#C/C(=C/O)CO
InChIInChI=1S/C6H8O2/c1-2-3-6(4-7)5-8/h4,7-8H,5H2,1H3/b6-4-
InChIKeyRPCBVHCPFNUEKT-XQRVVYSFSA-N
XLogP0.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-1,3-propenediol
CID 73454922
2-Methylidenepent-3-yn-1-ol
CID 119097406
3-Octyn-1-ol, 2-methylene-
CID 10877185
2-Methylidenehex-4-yn-1-ol
CID 12480969
5-Methylhex-5-en-3-yn-1-ol
CID 12546242
(E)-2-methylprop-1-ene-1,3-diol
CID 18649681
(Z)-2-methylprop-1-ene-1,3-diol
CID 18704429
2-Methylpent-1-en-3-yn-1-ol
CID 130122480
Water methallyl alcohol
CID 131719387
(E)-2-methylpent-1-en-3-yn-1-ol
CID 173967206
5,5-Dimethyl-2-methylidenehex-3-yn-1-ol
CID 10351771
(2E)-2-ethylidenepent-3-yn-1-ol
CID 11571790

Frequently Asked Questions

What is the IUPAC name of (Z)-2-prop-1-ynylprop-1-ene-1,3-diol?
The IUPAC name of (Z)-2-prop-1-ynylprop-1-ene-1,3-diol (CID 142132001) is (Z)-2-prop-1-ynylprop-1-ene-1,3-diol.
What is the SMILES notation for (Z)-2-prop-1-ynylprop-1-ene-1,3-diol?
The canonical SMILES for (Z)-2-prop-1-ynylprop-1-ene-1,3-diol is CC#C/C(=C/O)CO.
What is the InChIKey of (Z)-2-prop-1-ynylprop-1-ene-1,3-diol?
The InChIKey is RPCBVHCPFNUEKT-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H8O2/c1-2-3-6(4-7)5-8/h4,7-8H,5H2,1H3/b6-4-.
What are the key properties of (Z)-2-prop-1-ynylprop-1-ene-1,3-diol?
(Z)-2-prop-1-ynylprop-1-ene-1,3-diol has a molecular weight of 112.13 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-prop-1-ynylprop-1-ene-1,3-diol is sourced from PubChem (CID 142132001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).