3-propoxyprop-1-yn-1-ol

C6H10O2 — CID 141179069

IUPAC3-propoxyprop-1-yn-1-ol
SMILESCCCOCC#CO
InChIInChI=1S/C6H10O2/c1-2-5-8-6-3-4-7/h7H,2,5-6H2,1H3
InChIKeyBJPNXNTYVOVAFM-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.75
Rot. Bonds3

About 3-propoxyprop-1-yn-1-ol

3-propoxyprop-1-yn-1-ol (PubChem CID 141179069) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 3-propoxyprop-1-yn-1-ol.

Molecular Properties

Compound Name3-propoxyprop-1-yn-1-ol
PubChem CID141179069
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name3-propoxyprop-1-yn-1-ol
SMILESCCCOCC#CO
InChIInChI=1S/C6H10O2/c1-2-5-8-6-3-4-7/h7H,2,5-6H2,1H3
InChIKeyBJPNXNTYVOVAFM-UHFFFAOYSA-N
XLogP0.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.75
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

3-propoxyprop-1-yne-1-sulfonic acid
CID 174449204
5-but-2-ynoxypent-1-yn-1-ol
CID 88650630
1-(3-propoxyprop-1-ynyl)cyclohexan-1-ol
CID 134884657
ethane;propane;1-propoxypropane
CID 143757970
N,N-difluoro-2-propoxyethanamine
CID 88791900
ethane-1,2-diol;methane;1-propoxypropane
CID 19065615
CID 57098633
CID 57098633
1-(3-iodoprop-2-ynoxy)pentane
CID 57140404
2,3-dimethyl-1,4-dipropoxybut-2-ene
CID 131851897
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004
bis(propan-1-ol);bis(2-propoxyethanol)
CID 157411921
1-ethoxypropane;methane
CID 158784820

Frequently Asked Questions

What is the IUPAC name of 3-propoxyprop-1-yn-1-ol?
The IUPAC name of 3-propoxyprop-1-yn-1-ol (CID 141179069) is 3-propoxyprop-1-yn-1-ol.
What is the SMILES notation for 3-propoxyprop-1-yn-1-ol?
The canonical SMILES for 3-propoxyprop-1-yn-1-ol is CCCOCC#CO.
What is the InChIKey of 3-propoxyprop-1-yn-1-ol?
The InChIKey is BJPNXNTYVOVAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-5-8-6-3-4-7/h7H,2,5-6H2,1H3.
What are the key properties of 3-propoxyprop-1-yn-1-ol?
3-propoxyprop-1-yn-1-ol has a molecular weight of 114.14 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxyprop-1-yn-1-ol is sourced from PubChem (CID 141179069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).