butan-1-ol;prop-1-yne

C7H14O — CID 175315152

IUPACbutan-1-ol;prop-1-yne
SMILESC#CC.CCCCO
InChIInChI=1S/C4H10O.C3H4/c1-2-3-4-5;1-3-2/h5H,2-4H2,1H3;1H,2H3
InChIKeyRVYVUDNDOBDTTH-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.42
Rot. Bonds2

About butan-1-ol;prop-1-yne

butan-1-ol;prop-1-yne (PubChem CID 175315152) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is butan-1-ol;prop-1-yne.

Molecular Properties

Compound Namebutan-1-ol;prop-1-yne
PubChem CID175315152
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Namebutan-1-ol;prop-1-yne
SMILESC#CC.CCCCO
InChIInChI=1S/C4H10O.C3H4/c1-2-3-4-5;1-3-2/h5H,2-4H2,1H3;1H,2H3
InChIKeyRVYVUDNDOBDTTH-UHFFFAOYSA-N
XLogP1.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butan-1-ol
CID 20532113
(1,2,3,4-13C4)butan-1-ol
CID 71309697
sodium butan-1-ol
CID 19366054
butan-1-ol;nickel
CID 22477011
butane;butan-1-ol
CID 19774960
tris(butan-1-ol);zirconium
CID 25200102
butan-1-ol;cadmium
CID 154199105
butan-1-ol;methanol
CID 23065762
butan-1-ol;plumbane
CID 173408910
tetrakis(butan-1-ol);cerium
CID 87109841
pentakis(butan-1-ol);vanadium
CID 14228635
tris(butan-1-ol);titanium;bromide
CID 20523364

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;prop-1-yne?
The IUPAC name of butan-1-ol;prop-1-yne (CID 175315152) is butan-1-ol;prop-1-yne.
What is the SMILES notation for butan-1-ol;prop-1-yne?
The canonical SMILES for butan-1-ol;prop-1-yne is C#CC.CCCCO.
What is the InChIKey of butan-1-ol;prop-1-yne?
The InChIKey is RVYVUDNDOBDTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H4/c1-2-3-4-5;1-3-2/h5H,2-4H2,1H3;1H,2H3.
What are the key properties of butan-1-ol;prop-1-yne?
butan-1-ol;prop-1-yne has a molecular weight of 114.19 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;prop-1-yne is sourced from PubChem (CID 175315152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).