5-propoxypent-1-yn-3-ol

C8H14O2 — CID 105106146

IUPAC5-propoxypent-1-yn-3-ol
SMILESC#CC(O)CCOCCC
InChIInChI=1S/C8H14O2/c1-3-6-10-7-5-8(9)4-2/h2,8-9H,3,5-7H2,1H3
InChIKeyYTHDBSJEUBGRFT-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.80
Rot. Bonds5

About 5-propoxypent-1-yn-3-ol

5-propoxypent-1-yn-3-ol (PubChem CID 105106146) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 5-propoxypent-1-yn-3-ol.

Molecular Properties

Compound Name5-propoxypent-1-yn-3-ol
PubChem CID105106146
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name5-propoxypent-1-yn-3-ol
SMILESC#CC(O)CCOCCC
InChIInChI=1S/C8H14O2/c1-3-6-10-7-5-8(9)4-2/h2,8-9H,3,5-7H2,1H3
InChIKeyYTHDBSJEUBGRFT-UHFFFAOYSA-N
XLogP0.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

5-propoxypent-1-yn-3-amine
CID 105158278
(3R,6R)-octa-1,7-diyne-3,6-diol
CID 100939656
1,5-dipropoxy-3-(2-propoxyethyl)pentane
CID 58572257
1-ethoxy-4-propoxybutan-2-ol
CID 105111761
(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-ol
CID 10878674
(3S,7S)-nona-1,8-diyne-3,7-diol
CID 10534853
3-methyl-1-propoxypentane
CID 123388243
2-(bromomethyl)-4-propoxybutanenitrile
CID 106457590
5-propyloct-1-yn-3-ol
CID 175345358
5-(2-propoxyethoxy)pentan-2-ol
CID 63686964
1-cyclobutyl-3-propoxypropan-1-ol
CID 105130749
diethyl 2-(2-propoxyethyl)propanedioate
CID 106454926

Frequently Asked Questions

What is the IUPAC name of 5-propoxypent-1-yn-3-ol?
The IUPAC name of 5-propoxypent-1-yn-3-ol (CID 105106146) is 5-propoxypent-1-yn-3-ol.
What is the SMILES notation for 5-propoxypent-1-yn-3-ol?
The canonical SMILES for 5-propoxypent-1-yn-3-ol is C#CC(O)CCOCCC.
What is the InChIKey of 5-propoxypent-1-yn-3-ol?
The InChIKey is YTHDBSJEUBGRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-6-10-7-5-8(9)4-2/h2,8-9H,3,5-7H2,1H3.
What are the key properties of 5-propoxypent-1-yn-3-ol?
5-propoxypent-1-yn-3-ol has a molecular weight of 142.20 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propoxypent-1-yn-3-ol is sourced from PubChem (CID 105106146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).