but-3-en-1-ol;prop-2-en-1-ol;2-prop-2-enoxyethanol;1-(2-prop-2-enoxyethoxy)propan-2-ol;2-(1-prop-2-enoxypropan-2-yloxy)ethanol

C28H56O10 — CID 158185712

IUPACbut-3-en-1-ol;prop-2-en-1-ol;2-prop-2-enoxyethanol;1-(2-prop-2-enoxyethoxy)propan-2-ol;2-(1-prop-2-enoxypropan-2-yloxy)ethanol
SMILESC=CCCO.C=CCO.C=CCOCC(C)OCCO.C=CCOCCO.C=CCOCCOCC(C)O
InChIInChI=1S/2C8H16O3.C5H10O2.C4H8O.C3H6O/c1-3-5-10-7-8(2)11-6-4-9;1-3-4-10-5-6-11-7-8(2)9;1-2-4-7-5-3-6;1-2-3-4-5;1-2-3-4/h2*3,8-9H,1,4-7H2,2H3;2,6H,1,3-5H2;2,5H,1,3-4H2;2,4H,1,3H2
InChIKeyFZCODURVSNUSEG-UHFFFAOYSA-N
MW552.75 g/mol
LogP2.07
Rot. Bonds21

About but-3-en-1-ol;prop-2-en-1-ol;2-prop-2-enoxyethanol;1-(2-prop-2-enoxyethoxy)propan-2-ol;2-(1-prop-2-enoxypropan-2-yloxy)ethanol

but-3-en-1-ol;prop-2-en-1-ol;2-prop-2-enoxyethanol;1-(2-prop-2-enoxyethoxy)propan-2-ol;2-(1-prop-2-enoxypropan-2-yloxy)ethanol (PubChem CID 158185712) has the molecular formula C28H56O10 and a molecular weight of 552.75 g/mol. Its IUPAC name is but-3-en-1-ol;prop-2-en-1-ol;2-prop-2-enoxyethanol;1-(2-prop-2-enoxyethoxy)propan-2-ol;2-(1-prop-2-enoxypropan-2-yloxy)ethanol.

Molecular Properties

Compound Namebut-3-en-1-ol;prop-2-en-1-ol;2-prop-2-enoxyethanol;1-(2-prop-2-enoxyethoxy)propan-2-ol;2-(1-prop-2-enoxypropan-2-yloxy)ethanol
PubChem CID158185712
Molecular FormulaC28H56O10
Molecular Weight552.75 g/mol
Exact Mass552.39
IUPAC Namebut-3-en-1-ol;prop-2-en-1-ol;2-prop-2-enoxyethanol;1-(2-prop-2-enoxyethoxy)propan-2-ol;2-(1-prop-2-enoxypropan-2-yloxy)ethanol
SMILESC=CCCO.C=CCO.C=CCOCC(C)OCCO.C=CCOCCO.C=CCOCCOCC(C)O
InChIInChI=1S/2C8H16O3.C5H10O2.C4H8O.C3H6O/c1-3-5-10-7-8(2)11-6-4-9;1-3-4-10-5-6-11-7-8(2)9;1-2-4-7-5-3-6;1-2-3-4-5;1-2-3-4/h2*3,8-9H,1,4-7H2,2H3;2,6H,1,3-5H2;2,5H,1,3-4H2;2,4H,1,3H2
InChIKeyFZCODURVSNUSEG-UHFFFAOYSA-N
XLogP2.07
TPSA147.30 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.75
LogP ≤ 52.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze but-3-en-1-ol;prop-2-en-1-ol;2-prop-2-enoxyethanol;1-(2-prop-2-enoxyethoxy)propan-2-ol;2-(1-prop-2-enoxypropan-2-yloxy)ethanol with MolForge

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Related Compounds

3,4-Di(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)butene
CID 18327886
1-[1-[1-[1-(1-Prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol
CID 10970113
(3S,4S)-4-prop-2-enoxypent-1-en-3-ol
CID 11171035
2-Butoxybut-3-en-1-ol
CID 18426456
1-Hydroxy-2-tert-butoxy-3-butene
CID 19025070
2-butoxybut-3-en-1-ol;(E)-4-butoxybut-2-en-1-ol
CID 19778737
2-[2-(2-But-3-en-2-yloxyethoxy)ethoxy]ethanol
CID 19986593
2-[2-[2-(2-But-3-en-2-yloxyethoxy)ethoxy]ethoxy]ethanol
CID 19986599
2-(2-Hydroxybut-3-enoxy)-2-methylbut-3-en-1-ol
CID 20697414
2-(2-Methoxybut-3-enoxy)but-3-en-1-ol
CID 20697416
1-[4-(2-Hydroxypropoxy)hexa-1,5-dien-3-yloxy]propan-2-ol
CID 21554281
2-[2-(2-Hydroxypropoxy)propoxy]propan-1-ol;2-penta-1,4-dien-2-yloxypenta-1,4-diene
CID 22421285

Frequently Asked Questions

What is the IUPAC name of but-3-en-1-ol;prop-2-en-1-ol;2-prop-2-enoxyethanol;1-(2-prop-2-enoxyethoxy)propan-2-ol;2-(1-prop-2-enoxypropan-2-yloxy)ethanol?
The IUPAC name of but-3-en-1-ol;prop-2-en-1-ol;2-prop-2-enoxyethanol;1-(2-prop-2-enoxyethoxy)propan-2-ol;2-(1-prop-2-enoxypropan-2-yloxy)ethanol (CID 158185712) is but-3-en-1-ol;prop-2-en-1-ol;2-prop-2-enoxyethanol;1-(2-prop-2-enoxyethoxy)propan-2-ol;2-(1-prop-2-enoxypropan-2-yloxy)ethanol.
What is the SMILES notation for but-3-en-1-ol;prop-2-en-1-ol;2-prop-2-enoxyethanol;1-(2-prop-2-enoxyethoxy)propan-2-ol;2-(1-prop-2-enoxypropan-2-yloxy)ethanol?
The canonical SMILES for but-3-en-1-ol;prop-2-en-1-ol;2-prop-2-enoxyethanol;1-(2-prop-2-enoxyethoxy)propan-2-ol;2-(1-prop-2-enoxypropan-2-yloxy)ethanol is C=CCCO.C=CCO.C=CCOCC(C)OCCO.C=CCOCCO.C=CCOCCOCC(C)O.
What is the InChIKey of but-3-en-1-ol;prop-2-en-1-ol;2-prop-2-enoxyethanol;1-(2-prop-2-enoxyethoxy)propan-2-ol;2-(1-prop-2-enoxypropan-2-yloxy)ethanol?
The InChIKey is FZCODURVSNUSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16O3.C5H10O2.C4H8O.C3H6O/c1-3-5-10-7-8(2)11-6-4-9;1-3-4-10-5-6-11-7-8(2)9;1-2-4-7-5-3-6;1-2-3-4-5;1-2-3-4/h2*3,8-9H,1,4-7H2,2H3;2,6H,1,3-5H2;2,5H,1,3-4H2;2,4H,1,3H2.
What are the key properties of but-3-en-1-ol;prop-2-en-1-ol;2-prop-2-enoxyethanol;1-(2-prop-2-enoxyethoxy)propan-2-ol;2-(1-prop-2-enoxypropan-2-yloxy)ethanol?
but-3-en-1-ol;prop-2-en-1-ol;2-prop-2-enoxyethanol;1-(2-prop-2-enoxyethoxy)propan-2-ol;2-(1-prop-2-enoxypropan-2-yloxy)ethanol has a molecular weight of 552.75 g/mol, XLogP of 2.07, 21 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-1-ol;prop-2-en-1-ol;2-prop-2-enoxyethanol;1-(2-prop-2-enoxyethoxy)propan-2-ol;2-(1-prop-2-enoxypropan-2-yloxy)ethanol is sourced from PubChem (CID 158185712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).