3-methyl-1-(3-methylbuta-1,3-dienoxy)buta-1,3-diene

C10H14O — CID 57029633

IUPAC3-methyl-1-(3-methylbuta-1,3-dienoxy)buta-1,3-diene
SMILESC=C(C)C=COC=CC(=C)C
InChIInChI=1S/C10H14O/c1-9(2)5-7-11-8-6-10(3)4/h5-8H,1,3H2,2,4H3
InChIKeyDHNFGUDLVOSIKJ-UHFFFAOYSA-N
MW150.22 g/mol
LogP3.18
Rot. Bonds4

About 3-methyl-1-(3-methylbuta-1,3-dienoxy)buta-1,3-diene

3-methyl-1-(3-methylbuta-1,3-dienoxy)buta-1,3-diene (PubChem CID 57029633) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-methyl-1-(3-methylbuta-1,3-dienoxy)buta-1,3-diene.

Molecular Properties

Compound Name3-methyl-1-(3-methylbuta-1,3-dienoxy)buta-1,3-diene
PubChem CID57029633
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name3-methyl-1-(3-methylbuta-1,3-dienoxy)buta-1,3-diene
SMILESC=C(C)C=COC=CC(=C)C
InChIInChI=1S/C10H14O/c1-9(2)5-7-11-8-6-10(3)4/h5-8H,1,3H2,2,4H3
InChIKeyDHNFGUDLVOSIKJ-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 53.18
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 3-methyl-1-(3-methylbuta-1,3-dienoxy)buta-1,3-diene?
The IUPAC name of 3-methyl-1-(3-methylbuta-1,3-dienoxy)buta-1,3-diene (CID 57029633) is 3-methyl-1-(3-methylbuta-1,3-dienoxy)buta-1,3-diene.
What is the SMILES notation for 3-methyl-1-(3-methylbuta-1,3-dienoxy)buta-1,3-diene?
The canonical SMILES for 3-methyl-1-(3-methylbuta-1,3-dienoxy)buta-1,3-diene is C=C(C)C=COC=CC(=C)C.
What is the InChIKey of 3-methyl-1-(3-methylbuta-1,3-dienoxy)buta-1,3-diene?
The InChIKey is DHNFGUDLVOSIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-9(2)5-7-11-8-6-10(3)4/h5-8H,1,3H2,2,4H3.
What are the key properties of 3-methyl-1-(3-methylbuta-1,3-dienoxy)buta-1,3-diene?
3-methyl-1-(3-methylbuta-1,3-dienoxy)buta-1,3-diene has a molecular weight of 150.22 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylbuta-1,3-dienoxy)buta-1,3-diene is sourced from PubChem (CID 57029633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).