3-methoxy-2,6-dimethylocta-1,7-diene

C11H20O — CID 13332105

IUPAC3-methoxy-2,6-dimethylocta-1,7-diene
SMILESC=CC(C)CCC(OC)C(=C)C
InChIInChI=1S/C11H20O/c1-6-10(4)7-8-11(12-5)9(2)3/h6,10-11H,1-2,7-8H2,3-5H3
InChIKeyWMANGFOIPXGUIM-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.18
Rot. Bonds6

About 3-methoxy-2,6-dimethylocta-1,7-diene

3-methoxy-2,6-dimethylocta-1,7-diene (PubChem CID 13332105) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-methoxy-2,6-dimethylocta-1,7-diene.

Molecular Properties

Compound Name3-methoxy-2,6-dimethylocta-1,7-diene
PubChem CID13332105
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-methoxy-2,6-dimethylocta-1,7-diene
SMILESC=CC(C)CCC(OC)C(=C)C
InChIInChI=1S/C11H20O/c1-6-10(4)7-8-11(12-5)9(2)3/h6,10-11H,1-2,7-8H2,3-5H3
InChIKeyWMANGFOIPXGUIM-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 61665
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CID 21576892
1-Isopropenyl-4-methylhex-5-enyl acetate
CID 521972
cis-Anhydrolinalool oxide
CID 6429212
(2R,5R)-2-Methyl-5-(prop-1-en-2-yl)-2-vinyltetrahydrofuran
CID 21576893
2,5-Dimethyl-3-prop-2-enoxyhex-1-ene
CID 10920921
4-Methoxy-6,10-dimethyl-3-methylideneundec-1-ene
CID 15666361
(4S,6S)-4,6-dimethyl-3,7-dimethylidene-5-prop-2-enoxynonane
CID 16723174
(4R,6S)-4,6-dimethyl-3,7-dimethylidene-5-prop-2-enoxynonane
CID 16723176
Tributyl-[(2-methyl-5-prop-1-en-2-ylnona-1,8-dien-3-yl)oxymethyl]stannane
CID 134880474
(2R,3R)-2-hept-1-en-2-yl-3-methyl-2,3-dihydrofuran
CID 135056531

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,6-dimethylocta-1,7-diene?
The IUPAC name of 3-methoxy-2,6-dimethylocta-1,7-diene (CID 13332105) is 3-methoxy-2,6-dimethylocta-1,7-diene.
What is the SMILES notation for 3-methoxy-2,6-dimethylocta-1,7-diene?
The canonical SMILES for 3-methoxy-2,6-dimethylocta-1,7-diene is C=CC(C)CCC(OC)C(=C)C.
What is the InChIKey of 3-methoxy-2,6-dimethylocta-1,7-diene?
The InChIKey is WMANGFOIPXGUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-6-10(4)7-8-11(12-5)9(2)3/h6,10-11H,1-2,7-8H2,3-5H3.
What are the key properties of 3-methoxy-2,6-dimethylocta-1,7-diene?
3-methoxy-2,6-dimethylocta-1,7-diene has a molecular weight of 168.28 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,6-dimethylocta-1,7-diene is sourced from PubChem (CID 13332105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).