3-ethenyl-3-methoxy-2-methylhexa-1,5-diene

C10H16O — CID 123768092

IUPAC3-ethenyl-3-methoxy-2-methylhexa-1,5-diene
SMILESC=CCC(C=C)(OC)C(=C)C
InChIInChI=1S/C10H16O/c1-6-8-10(7-2,11-5)9(3)4/h6-7H,1-3,8H2,4-5H3
InChIKeyLMCTYTWVSUYENB-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.71
Rot. Bonds5

About 3-ethenyl-3-methoxy-2-methylhexa-1,5-diene

3-ethenyl-3-methoxy-2-methylhexa-1,5-diene (PubChem CID 123768092) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-ethenyl-3-methoxy-2-methylhexa-1,5-diene.

Molecular Properties

Compound Name3-ethenyl-3-methoxy-2-methylhexa-1,5-diene
PubChem CID123768092
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3-ethenyl-3-methoxy-2-methylhexa-1,5-diene
SMILESC=CCC(C=C)(OC)C(=C)C
InChIInChI=1S/C10H16O/c1-6-8-10(7-2,11-5)9(3)4/h6-7H,1-3,8H2,4-5H3
InChIKeyLMCTYTWVSUYENB-UHFFFAOYSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-3-methoxy-2-methylhexa-1,5-diene?
The IUPAC name of 3-ethenyl-3-methoxy-2-methylhexa-1,5-diene (CID 123768092) is 3-ethenyl-3-methoxy-2-methylhexa-1,5-diene.
What is the SMILES notation for 3-ethenyl-3-methoxy-2-methylhexa-1,5-diene?
The canonical SMILES for 3-ethenyl-3-methoxy-2-methylhexa-1,5-diene is C=CCC(C=C)(OC)C(=C)C.
What is the InChIKey of 3-ethenyl-3-methoxy-2-methylhexa-1,5-diene?
The InChIKey is LMCTYTWVSUYENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-6-8-10(7-2,11-5)9(3)4/h6-7H,1-3,8H2,4-5H3.
What are the key properties of 3-ethenyl-3-methoxy-2-methylhexa-1,5-diene?
3-ethenyl-3-methoxy-2-methylhexa-1,5-diene has a molecular weight of 152.24 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3-methoxy-2-methylhexa-1,5-diene is sourced from PubChem (CID 123768092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).