3-(3-hydroxybut-1-en-2-yloxy)but-3-en-2-ol;2-pent-1-en-2-yloxypent-1-ene

C18H32O4 — CID 19378360

IUPAC3-(3-hydroxybut-1-en-2-yloxy)but-3-en-2-ol;2-pent-1-en-2-yloxypent-1-ene
SMILESC=C(CCC)OC(=C)CCC.C=C(OC(=C)C(C)O)C(C)O
InChIInChI=1S/C10H18O.C8H14O3/c1-5-7-9(3)11-10(4)8-6-2;1-5(9)7(3)11-8(4)6(2)10/h3-8H2,1-2H3;5-6,9-10H,3-4H2,1-2H3
InChIKeyRRWMGKCKSWCFFF-UHFFFAOYSA-N
MW312.45 g/mol
LogP4.42
Rot. Bonds10

About 3-(3-hydroxybut-1-en-2-yloxy)but-3-en-2-ol;2-pent-1-en-2-yloxypent-1-ene

3-(3-hydroxybut-1-en-2-yloxy)but-3-en-2-ol;2-pent-1-en-2-yloxypent-1-ene (PubChem CID 19378360) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is 3-(3-hydroxybut-1-en-2-yloxy)but-3-en-2-ol;2-pent-1-en-2-yloxypent-1-ene.

Molecular Properties

Compound Name3-(3-hydroxybut-1-en-2-yloxy)but-3-en-2-ol;2-pent-1-en-2-yloxypent-1-ene
PubChem CID19378360
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name3-(3-hydroxybut-1-en-2-yloxy)but-3-en-2-ol;2-pent-1-en-2-yloxypent-1-ene
SMILESC=C(CCC)OC(=C)CCC.C=C(OC(=C)C(C)O)C(C)O
InChIInChI=1S/C10H18O.C8H14O3/c1-5-7-9(3)11-10(4)8-6-2;1-5(9)7(3)11-8(4)6(2)10/h3-8H2,1-2H3;5-6,9-10H,3-4H2,1-2H3
InChIKeyRRWMGKCKSWCFFF-UHFFFAOYSA-N
XLogP4.42
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 3-(3-hydroxybut-1-en-2-yloxy)but-3-en-2-ol;2-pent-1-en-2-yloxypent-1-ene with MolForge

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Launch Full Analysis

Related Compounds

2-(3-Hydroxypent-1-en-2-yloxy)pent-1-en-3-ol
CID 18786251
3-(3-Hydroxybut-1-en-2-yloxy)but-3-en-2-ol
CID 19378361
2-(3-Hydroxyhex-1-en-2-yloxy)hex-1-en-3-ol
CID 21258651
2-Hex-1-en-2-yloxyhex-1-ene;2-(2-hydroxyethoxy)ethanol
CID 87071858
2-(3-Hydroxyhept-1-en-2-yloxy)hept-1-en-3-ol;2-(3-hydroxyhex-1-en-2-yloxy)hex-1-en-3-ol
CID 87384962
2-(3-Hydroxyhex-1-en-2-yloxy)hex-1-en-3-ol;4-methyl-2-(4-methylpent-1-en-2-yloxy)pent-1-ene
CID 87556925
2-[2-(2-Hydroxyethoxy)ethoxy]pent-1-en-3-ol
CID 88371376
1-[1-(3-Hydroxyprop-1-en-2-yloxy)propan-2-yloxy]propan-2-ol
CID 88555972
2,3,4-Tributoxypent-4-en-1-ol
CID 89590974
ethane;methoxymethane;2-methoxypropan-2-ol;5-propan-2-yloxy-3,4-dihydro-2H-pyran-4-ol
CID 141789589
2-(3-Hydroxyprop-1-en-2-yloxy)pent-1-en-3-ol
CID 155574161
(3R)-2-ethoxyhex-1-en-3-ol
CID 124705460

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxybut-1-en-2-yloxy)but-3-en-2-ol;2-pent-1-en-2-yloxypent-1-ene?
The IUPAC name of 3-(3-hydroxybut-1-en-2-yloxy)but-3-en-2-ol;2-pent-1-en-2-yloxypent-1-ene (CID 19378360) is 3-(3-hydroxybut-1-en-2-yloxy)but-3-en-2-ol;2-pent-1-en-2-yloxypent-1-ene.
What is the SMILES notation for 3-(3-hydroxybut-1-en-2-yloxy)but-3-en-2-ol;2-pent-1-en-2-yloxypent-1-ene?
The canonical SMILES for 3-(3-hydroxybut-1-en-2-yloxy)but-3-en-2-ol;2-pent-1-en-2-yloxypent-1-ene is C=C(CCC)OC(=C)CCC.C=C(OC(=C)C(C)O)C(C)O.
What is the InChIKey of 3-(3-hydroxybut-1-en-2-yloxy)but-3-en-2-ol;2-pent-1-en-2-yloxypent-1-ene?
The InChIKey is RRWMGKCKSWCFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O.C8H14O3/c1-5-7-9(3)11-10(4)8-6-2;1-5(9)7(3)11-8(4)6(2)10/h3-8H2,1-2H3;5-6,9-10H,3-4H2,1-2H3.
What are the key properties of 3-(3-hydroxybut-1-en-2-yloxy)but-3-en-2-ol;2-pent-1-en-2-yloxypent-1-ene?
3-(3-hydroxybut-1-en-2-yloxy)but-3-en-2-ol;2-pent-1-en-2-yloxypent-1-ene has a molecular weight of 312.45 g/mol, XLogP of 4.42, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxybut-1-en-2-yloxy)but-3-en-2-ol;2-pent-1-en-2-yloxypent-1-ene is sourced from PubChem (CID 19378360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).