(3Z)-2-[(2-methylpropan-2-yl)oxy]penta-1,3-diene

C9H16O — CID 142052910

IUPAC(3Z)-2-[(2-methylpropan-2-yl)oxy]penta-1,3-diene
SMILESC=C(/C=C\C)OC(C)(C)C
InChIInChI=1S/C9H16O/c1-6-7-8(2)10-9(3,4)5/h6-7H,2H2,1,3-5H3/b7-6-
InChIKeyVXARTHGJTHAVPB-SREVYHEPSA-N
MW140.23 g/mol
LogP2.89
Rot. Bonds2

About (3Z)-2-[(2-methylpropan-2-yl)oxy]penta-1,3-diene

(3Z)-2-[(2-methylpropan-2-yl)oxy]penta-1,3-diene (PubChem CID 142052910) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (3Z)-2-[(2-methylpropan-2-yl)oxy]penta-1,3-diene.

Molecular Properties

Compound Name(3Z)-2-[(2-methylpropan-2-yl)oxy]penta-1,3-diene
PubChem CID142052910
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(3Z)-2-[(2-methylpropan-2-yl)oxy]penta-1,3-diene
SMILESC=C(/C=C\C)OC(C)(C)C
InChIInChI=1S/C9H16O/c1-6-7-8(2)10-9(3,4)5/h6-7H,2H2,1,3-5H3/b7-6-
InChIKeyVXARTHGJTHAVPB-SREVYHEPSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.89
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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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-[(2-methylpropan-2-yl)oxy]penta-1,3-diene?
The IUPAC name of (3Z)-2-[(2-methylpropan-2-yl)oxy]penta-1,3-diene (CID 142052910) is (3Z)-2-[(2-methylpropan-2-yl)oxy]penta-1,3-diene.
What is the SMILES notation for (3Z)-2-[(2-methylpropan-2-yl)oxy]penta-1,3-diene?
The canonical SMILES for (3Z)-2-[(2-methylpropan-2-yl)oxy]penta-1,3-diene is C=C(/C=C\C)OC(C)(C)C.
What is the InChIKey of (3Z)-2-[(2-methylpropan-2-yl)oxy]penta-1,3-diene?
The InChIKey is VXARTHGJTHAVPB-SREVYHEPSA-N. The full InChI is InChI=1S/C9H16O/c1-6-7-8(2)10-9(3,4)5/h6-7H,2H2,1,3-5H3/b7-6-.
What are the key properties of (3Z)-2-[(2-methylpropan-2-yl)oxy]penta-1,3-diene?
(3Z)-2-[(2-methylpropan-2-yl)oxy]penta-1,3-diene has a molecular weight of 140.23 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-[(2-methylpropan-2-yl)oxy]penta-1,3-diene is sourced from PubChem (CID 142052910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).