3-pent-3-ynyloxan-4-ol

C10H16O2 — CID 106471270

IUPAC3-pent-3-ynyloxan-4-ol
SMILESCC#CCCC1COCCC1O
InChIInChI=1S/C10H16O2/c1-2-3-4-5-9-8-12-7-6-10(9)11/h9-11H,4-8H2,1H3
InChIKeyWDYDJBYIVKTHKT-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.19
Rot. Bonds2

About 3-pent-3-ynyloxan-4-ol

3-pent-3-ynyloxan-4-ol (PubChem CID 106471270) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-pent-3-ynyloxan-4-ol.

Molecular Properties

Compound Name3-pent-3-ynyloxan-4-ol
PubChem CID106471270
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-pent-3-ynyloxan-4-ol
SMILESCC#CCCC1COCCC1O
InChIInChI=1S/C10H16O2/c1-2-3-4-5-9-8-12-7-6-10(9)11/h9-11H,4-8H2,1H3
InChIKeyWDYDJBYIVKTHKT-UHFFFAOYSA-N
XLogP1.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-pent-3-ynylcyclohexan-1-ol
CID 104810024
3-(2-hydroxyethyl)oxan-4-ol
CID 58654187
3-(3-methoxy-3-methylbutyl)oxan-4-ol
CID 106471274
(3S,4R)-3-(2-methylpropyl)oxan-4-ol
CID 124680895
2-pent-3-ynyl-4-propan-2-ylcyclohexan-1-ol
CID 104810061
3-[(dipropylamino)methyl]oxan-4-ol
CID 103061158
(2-pent-3-ynylcyclopentyl)methanamine
CID 104813751
3-[2-(trifluoromethoxy)ethyl]oxan-4-ol
CID 106471340
3-(3-hydroxy-2-methylpropyl)oxan-4-ol
CID 106471163
3-(2-hydroxy-2-methylbutyl)oxan-4-ol
CID 106471090
3-(4-phenylbutyl)oxan-4-ol
CID 106471164
1-[(4-hydroxyoxan-3-yl)methyl]pyrrolidine-3,4-diol
CID 106674242

Frequently Asked Questions

What is the IUPAC name of 3-pent-3-ynyloxan-4-ol?
The IUPAC name of 3-pent-3-ynyloxan-4-ol (CID 106471270) is 3-pent-3-ynyloxan-4-ol.
What is the SMILES notation for 3-pent-3-ynyloxan-4-ol?
The canonical SMILES for 3-pent-3-ynyloxan-4-ol is CC#CCCC1COCCC1O.
What is the InChIKey of 3-pent-3-ynyloxan-4-ol?
The InChIKey is WDYDJBYIVKTHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-3-4-5-9-8-12-7-6-10(9)11/h9-11H,4-8H2,1H3.
What are the key properties of 3-pent-3-ynyloxan-4-ol?
3-pent-3-ynyloxan-4-ol has a molecular weight of 168.24 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-3-ynyloxan-4-ol is sourced from PubChem (CID 106471270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).