4-propan-2-yloxypenta-1,3-diene

C8H14O — CID 123824588

IUPAC4-propan-2-yloxypenta-1,3-diene
SMILESC=CC=C(C)OC(C)C
InChIInChI=1S/C8H14O/c1-5-6-8(4)9-7(2)3/h5-7H,1H2,2-4H3
InChIKeyQNPCJTMIPXFXDE-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.50
Rot. Bonds3

About 4-propan-2-yloxypenta-1,3-diene

4-propan-2-yloxypenta-1,3-diene (PubChem CID 123824588) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 4-propan-2-yloxypenta-1,3-diene.

Molecular Properties

Compound Name4-propan-2-yloxypenta-1,3-diene
PubChem CID123824588
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name4-propan-2-yloxypenta-1,3-diene
SMILESC=CC=C(C)OC(C)C
InChIInChI=1S/C8H14O/c1-5-6-8(4)9-7(2)3/h5-7H,1H2,2-4H3
InChIKeyQNPCJTMIPXFXDE-UHFFFAOYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[(E)-2-propan-2-yloxyprop-1-enyl]penta-2,4-dienal
CID 142866167
(3E)-2-methyl-3-propan-2-yloxyhexa-1,3,5-triene
CID 144678667
(2S)-3-methylhexa-3,5-dien-2-ol
CID 91237293
(2E)-2-methylpenta-2,4-diene-1,1-diol
CID 142275116
(3E)-4-(difluoromethoxy)penta-1,3-diene;(Z)-hex-3-ene;2-methylbutane
CID 143345673
(2Z)-1-methoxy-2-methylpenta-2,4-dien-1-amine
CID 167020251
(2E)-2-methyl-1-(methylamino)penta-2,4-dien-1-ol
CID 134266797
(3E)-7-methyl-5-methylidene-4-propan-2-yloxyocta-1,3,7-triene
CID 162765333
(3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene
CID 167471627
(3E,6E)-4,5-dimethylocta-1,3,6-triene
CID 12533133
(3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene;ethane
CID 167471626
(3E)-4,5,7-trimethylocta-1,3,7-triene
CID 178162808

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxypenta-1,3-diene?
The IUPAC name of 4-propan-2-yloxypenta-1,3-diene (CID 123824588) is 4-propan-2-yloxypenta-1,3-diene.
What is the SMILES notation for 4-propan-2-yloxypenta-1,3-diene?
The canonical SMILES for 4-propan-2-yloxypenta-1,3-diene is C=CC=C(C)OC(C)C.
What is the InChIKey of 4-propan-2-yloxypenta-1,3-diene?
The InChIKey is QNPCJTMIPXFXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-5-6-8(4)9-7(2)3/h5-7H,1H2,2-4H3.
What are the key properties of 4-propan-2-yloxypenta-1,3-diene?
4-propan-2-yloxypenta-1,3-diene has a molecular weight of 126.20 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxypenta-1,3-diene is sourced from PubChem (CID 123824588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).