2,4-di(propan-2-yloxy)penta-1,4-diene

C11H20O2 — CID 87755689

IUPAC2,4-di(propan-2-yloxy)penta-1,4-diene
SMILESC=C(CC(=C)OC(C)C)OC(C)C
InChIInChI=1S/C11H20O2/c1-8(2)12-10(5)7-11(6)13-9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyXULWSCPRDKHOOL-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.25
Rot. Bonds6

About 2,4-di(propan-2-yloxy)penta-1,4-diene

2,4-di(propan-2-yloxy)penta-1,4-diene (PubChem CID 87755689) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2,4-di(propan-2-yloxy)penta-1,4-diene.

Molecular Properties

Compound Name2,4-di(propan-2-yloxy)penta-1,4-diene
PubChem CID87755689
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2,4-di(propan-2-yloxy)penta-1,4-diene
SMILESC=C(CC(=C)OC(C)C)OC(C)C
InChIInChI=1S/C11H20O2/c1-8(2)12-10(5)7-11(6)13-9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyXULWSCPRDKHOOL-UHFFFAOYSA-N
XLogP3.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yloxyprop-2-enylbenzene
CID 12057112
propan-2-yl 2-methylprop-2-enoate
CID 146421311
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
propan-2-yl 2-silylprop-2-enoate
CID 173200883
2-propan-2-yloxyprop-2-enal
CID 143387365
1-ethyl-N-(1-propan-2-yloxyethenyl)cyclopropan-1-amine
CID 159073467
2-(1,2,2-trichloroethenoxy)propane
CID 86259327
3-(2,6-dimethylheptan-4-yloxycarbonyl)but-3-enoic acid
CID 54539323
(3E)-7-methyl-5-methylidene-4-propan-2-yloxyocta-1,3,7-triene
CID 162765333
1-(prop-2-enylamino)prop-2-enyl 2-methylprop-2-enoate
CID 87097761
1-O-[5-(3-oxo-3-propan-2-yloxypropanoyl)oxyhexan-2-yl] 3-O-propan-2-yl 2-methylidenepropanedioate
CID 130459046
1,2,4,5,6,7-hexamethyl-3-(2-propan-2-yloxyprop-2-enyl)indole
CID 20653325

Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yloxy)penta-1,4-diene?
The IUPAC name of 2,4-di(propan-2-yloxy)penta-1,4-diene (CID 87755689) is 2,4-di(propan-2-yloxy)penta-1,4-diene.
What is the SMILES notation for 2,4-di(propan-2-yloxy)penta-1,4-diene?
The canonical SMILES for 2,4-di(propan-2-yloxy)penta-1,4-diene is C=C(CC(=C)OC(C)C)OC(C)C.
What is the InChIKey of 2,4-di(propan-2-yloxy)penta-1,4-diene?
The InChIKey is XULWSCPRDKHOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8(2)12-10(5)7-11(6)13-9(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2,4-di(propan-2-yloxy)penta-1,4-diene?
2,4-di(propan-2-yloxy)penta-1,4-diene has a molecular weight of 184.28 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yloxy)penta-1,4-diene is sourced from PubChem (CID 87755689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).