6-[(2-methylpropan-2-yl)oxy]hexa-1,2-diene

C10H18O — CID 10909795

IUPAC6-[(2-methylpropan-2-yl)oxy]hexa-1,2-diene
SMILESC=C=CCCCOC(C)(C)C
InChIInChI=1S/C10H18O/c1-5-6-7-8-9-11-10(2,3)4/h6H,1,7-9H2,2-4H3
InChIKeyGVPAVAVBBZXGGB-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.92
Rot. Bonds4

About 6-[(2-methylpropan-2-yl)oxy]hexa-1,2-diene

6-[(2-methylpropan-2-yl)oxy]hexa-1,2-diene (PubChem CID 10909795) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxy]hexa-1,2-diene.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxy]hexa-1,2-diene
PubChem CID10909795
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name6-[(2-methylpropan-2-yl)oxy]hexa-1,2-diene
SMILESC=C=CCCCOC(C)(C)C
InChIInChI=1S/C10H18O/c1-5-6-7-8-9-11-10(2,3)4/h6H,1,7-9H2,2-4H3
InChIKeyGVPAVAVBBZXGGB-UHFFFAOYSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-[(2-methylpropan-2-yl)oxy]hexa-1,2-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxy]hexa-1,2-diene?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxy]hexa-1,2-diene (CID 10909795) is 6-[(2-methylpropan-2-yl)oxy]hexa-1,2-diene.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxy]hexa-1,2-diene?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxy]hexa-1,2-diene is C=C=CCCCOC(C)(C)C.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxy]hexa-1,2-diene?
The InChIKey is GVPAVAVBBZXGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-5-6-7-8-9-11-10(2,3)4/h6H,1,7-9H2,2-4H3.
What are the key properties of 6-[(2-methylpropan-2-yl)oxy]hexa-1,2-diene?
6-[(2-methylpropan-2-yl)oxy]hexa-1,2-diene has a molecular weight of 154.25 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpropan-2-yl)oxy]hexa-1,2-diene is sourced from PubChem (CID 10909795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).