butan-1-ol;ethane;3-methoxyprop-1-ene

C10H24O2 — CID 142059621

IUPACbutan-1-ol;ethane;3-methoxyprop-1-ene
SMILESC=CCOC.CC.CCCCO
InChIInChI=1S/C4H8O.C4H10O.C2H6/c1-3-4-5-2;1-2-3-4-5;1-2/h3H,1,4H2,2H3;5H,2-4H2,1H3;1-2H3
InChIKeyOQZRBPCFTHXOQO-UHFFFAOYSA-N
MW176.30 g/mol
LogP2.62
Rot. Bonds4

About butan-1-ol;ethane;3-methoxyprop-1-ene

butan-1-ol;ethane;3-methoxyprop-1-ene (PubChem CID 142059621) has the molecular formula C10H24O2 and a molecular weight of 176.30 g/mol. Its IUPAC name is butan-1-ol;ethane;3-methoxyprop-1-ene.

Molecular Properties

Compound Namebutan-1-ol;ethane;3-methoxyprop-1-ene
PubChem CID142059621
Molecular FormulaC10H24O2
Molecular Weight176.30 g/mol
Exact Mass176.18
IUPAC Namebutan-1-ol;ethane;3-methoxyprop-1-ene
SMILESC=CCOC.CC.CCCCO
InChIInChI=1S/C4H8O.C4H10O.C2H6/c1-3-4-5-2;1-2-3-4-5;1-2/h3H,1,4H2,2H3;5H,2-4H2,1H3;1-2H3
InChIKeyOQZRBPCFTHXOQO-UHFFFAOYSA-N
XLogP2.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butan-1-ol;ethane;3-methoxyprop-1-ene?
The IUPAC name of butan-1-ol;ethane;3-methoxyprop-1-ene (CID 142059621) is butan-1-ol;ethane;3-methoxyprop-1-ene.
What is the SMILES notation for butan-1-ol;ethane;3-methoxyprop-1-ene?
The canonical SMILES for butan-1-ol;ethane;3-methoxyprop-1-ene is C=CCOC.CC.CCCCO.
What is the InChIKey of butan-1-ol;ethane;3-methoxyprop-1-ene?
The InChIKey is OQZRBPCFTHXOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C4H10O.C2H6/c1-3-4-5-2;1-2-3-4-5;1-2/h3H,1,4H2,2H3;5H,2-4H2,1H3;1-2H3.
What are the key properties of butan-1-ol;ethane;3-methoxyprop-1-ene?
butan-1-ol;ethane;3-methoxyprop-1-ene has a molecular weight of 176.30 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;ethane;3-methoxyprop-1-ene is sourced from PubChem (CID 142059621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).