2-methyl-2-pent-4-enoxybut-3-en-1-ol

C10H18O2 — CID 20697432

IUPAC2-methyl-2-pent-4-enoxybut-3-en-1-ol
SMILESC=CCCCOC(C)(C=C)CO
InChIInChI=1S/C10H18O2/c1-4-6-7-8-12-10(3,5-2)9-11/h4-5,11H,1-2,6-9H2,3H3
InChIKeyJYDZHMGKJWTXFC-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.91
Rot. Bonds7

About 2-methyl-2-pent-4-enoxybut-3-en-1-ol

2-methyl-2-pent-4-enoxybut-3-en-1-ol (PubChem CID 20697432) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-methyl-2-pent-4-enoxybut-3-en-1-ol.

Molecular Properties

Compound Name2-methyl-2-pent-4-enoxybut-3-en-1-ol
PubChem CID20697432
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-methyl-2-pent-4-enoxybut-3-en-1-ol
SMILESC=CCCCOC(C)(C=C)CO
InChIInChI=1S/C10H18O2/c1-4-6-7-8-12-10(3,5-2)9-11/h4-5,11H,1-2,6-9H2,3H3
InChIKeyJYDZHMGKJWTXFC-UHFFFAOYSA-N
XLogP1.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6-methoxyhexoxy)-2-methylbut-3-en-1-ol
CID 170336565
2-methyl-2-(3-methylbut-3-enoxy)but-3-en-1-ol
CID 164680699
2,3-dimethyl-3-pent-4-enoxybutan-2-ol
CID 175216620
3-[(2R)-1-hydroxy-2-methylbut-3-en-2-yl]oxypropanenitrile
CID 100946655
3-but-3-enoxy-3-methyldodec-1-ene
CID 25185090
4-[2-methyl-4-(2-methylhept-6-en-2-yloxy)butan-2-yl]oxybutanal
CID 146246879
2,2-dimethylhept-6-en-1-ol
CID 12063159
pent-4-enyl 2-iodo-2-methylpropanoate
CID 11129735
tris(hex-5-enoxy)methylsilane
CID 123357910
3-(2-ethoxyethoxy)-3,7-dimethylocta-1,6-diene
CID 57288719
(1-hydroxy-2-methylbut-3-en-2-yl)oxy nitrate
CID 177417708
2,2-dimethyl-5-pent-4-enoxypentanoic acid
CID 79114949

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-pent-4-enoxybut-3-en-1-ol?
The IUPAC name of 2-methyl-2-pent-4-enoxybut-3-en-1-ol (CID 20697432) is 2-methyl-2-pent-4-enoxybut-3-en-1-ol.
What is the SMILES notation for 2-methyl-2-pent-4-enoxybut-3-en-1-ol?
The canonical SMILES for 2-methyl-2-pent-4-enoxybut-3-en-1-ol is C=CCCCOC(C)(C=C)CO.
What is the InChIKey of 2-methyl-2-pent-4-enoxybut-3-en-1-ol?
The InChIKey is JYDZHMGKJWTXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-6-7-8-12-10(3,5-2)9-11/h4-5,11H,1-2,6-9H2,3H3.
What are the key properties of 2-methyl-2-pent-4-enoxybut-3-en-1-ol?
2-methyl-2-pent-4-enoxybut-3-en-1-ol has a molecular weight of 170.25 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pent-4-enoxybut-3-en-1-ol is sourced from PubChem (CID 20697432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).