4-methoxy-6-methylhepta-1,2-diene

C9H16O — CID 13148608

IUPAC4-methoxy-6-methylhepta-1,2-diene
SMILESC=C=CC(CC(C)C)OC
InChIInChI=1S/C9H16O/c1-5-6-9(10-4)7-8(2)3/h6,8-9H,1,7H2,2-4H3
InChIKeyXHKCHWDKEJBIAJ-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.39
Rot. Bonds4

About 4-methoxy-6-methylhepta-1,2-diene

4-methoxy-6-methylhepta-1,2-diene (PubChem CID 13148608) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-methoxy-6-methylhepta-1,2-diene.

Molecular Properties

Compound Name4-methoxy-6-methylhepta-1,2-diene
PubChem CID13148608
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4-methoxy-6-methylhepta-1,2-diene
SMILESC=C=CC(CC(C)C)OC
InChIInChI=1S/C9H16O/c1-5-6-9(10-4)7-8(2)3/h6,8-9H,1,7H2,2-4H3
InChIKeyXHKCHWDKEJBIAJ-UHFFFAOYSA-N
XLogP2.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methylhepta-1,2-diene?
The IUPAC name of 4-methoxy-6-methylhepta-1,2-diene (CID 13148608) is 4-methoxy-6-methylhepta-1,2-diene.
What is the SMILES notation for 4-methoxy-6-methylhepta-1,2-diene?
The canonical SMILES for 4-methoxy-6-methylhepta-1,2-diene is C=C=CC(CC(C)C)OC.
What is the InChIKey of 4-methoxy-6-methylhepta-1,2-diene?
The InChIKey is XHKCHWDKEJBIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-5-6-9(10-4)7-8(2)3/h6,8-9H,1,7H2,2-4H3.
What are the key properties of 4-methoxy-6-methylhepta-1,2-diene?
4-methoxy-6-methylhepta-1,2-diene has a molecular weight of 140.23 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methylhepta-1,2-diene is sourced from PubChem (CID 13148608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).