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

C8H14O — CID 123296318

IUPAC3-propan-2-yloxypenta-1,3-diene
SMILESC=CC(=CC)OC(C)C
InChIInChI=1S/C8H14O/c1-5-8(6-2)9-7(3)4/h5-7H,1H2,2-4H3
InChIKeyNINNRXDJUPOFFD-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.50
Rot. Bonds3

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

3-propan-2-yloxypenta-1,3-diene (PubChem CID 123296318) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-propan-2-yloxypenta-1,3-diene.

Molecular Properties

Compound Name3-propan-2-yloxypenta-1,3-diene
PubChem CID123296318
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name3-propan-2-yloxypenta-1,3-diene
SMILESC=CC(=CC)OC(C)C
InChIInChI=1S/C8H14O/c1-5-8(6-2)9-7(3)4/h5-7H,1H2,2-4H3
InChIKeyNINNRXDJUPOFFD-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

(3E)-3-(difluoromethoxy)penta-1,3-diene
CID 143010384
ethane;(3E,5Z)-3-propan-2-yloxyhepta-1,3,5-triene
CID 143474027
ethane;(3Z,5E)-3-methyl-5-propan-2-yloxyhepta-1,3,5-triene
CID 162765220
propan-2-yl 2-hydroxy-2-(prop-2-enoylamino)acetate
CID 18997975
methoxymethane;propan-2-yl 2-hydroxy-2-(prop-2-enoylamino)acetate
CID 18997974
[(3E)-penta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate
CID 15727159
[(3E)-penta-1,3-dien-3-yl] formate
CID 142087020
4-propan-2-yloxypenta-1,3-diene
CID 123824588
propan-2-yl [bis(propan-2-yloxycarbonyl)-prop-2-enoylsilyl]formate
CID 87558746
3-[(3E)-penta-1,3-dien-3-yl]oxy-N-propan-2-ylpropan-1-amine
CID 144694237
propan-2-yl (E)-2-prop-2-enoxybut-2-enoate
CID 25228919
(1E,3E)-1-bromo-3-propan-2-yloxybuta-1,3-diene-1,4-diamine
CID 144666196

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxypenta-1,3-diene?
The IUPAC name of 3-propan-2-yloxypenta-1,3-diene (CID 123296318) is 3-propan-2-yloxypenta-1,3-diene.
What is the SMILES notation for 3-propan-2-yloxypenta-1,3-diene?
The canonical SMILES for 3-propan-2-yloxypenta-1,3-diene is C=CC(=CC)OC(C)C.
What is the InChIKey of 3-propan-2-yloxypenta-1,3-diene?
The InChIKey is NINNRXDJUPOFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-5-8(6-2)9-7(3)4/h5-7H,1H2,2-4H3.
What are the key properties of 3-propan-2-yloxypenta-1,3-diene?
3-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 3-propan-2-yloxypenta-1,3-diene is sourced from PubChem (CID 123296318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).