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

C11H20O — CID 71364910

IUPAC5-methoxy-2,7-dimethylocta-1,6-diene
SMILESC=C(C)CCC(C=C(C)C)OC
InChIInChI=1S/C11H20O/c1-9(2)6-7-11(12-5)8-10(3)4/h8,11H,1,6-7H2,2-5H3
InChIKeyXADMTPDRRKVYOK-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.32
Rot. Bonds5

About 5-methoxy-2,7-dimethylocta-1,6-diene

5-methoxy-2,7-dimethylocta-1,6-diene (PubChem CID 71364910) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 5-methoxy-2,7-dimethylocta-1,6-diene.

Molecular Properties

Compound Name5-methoxy-2,7-dimethylocta-1,6-diene
PubChem CID71364910
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name5-methoxy-2,7-dimethylocta-1,6-diene
SMILESC=C(C)CCC(C=C(C)C)OC
InChIInChI=1S/C11H20O/c1-9(2)6-7-11(12-5)8-10(3)4/h8,11H,1,6-7H2,2-5H3
InChIKeyXADMTPDRRKVYOK-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.32
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

(+-)-Nerol oxide
CID 61275
(2E)-1-Ethoxy-3,7-dimethyl-2,6-octadiene
CID 5365847
(2E)-1-Methoxy-3,7-dimethyl-2,6-octadiene
CID 5365849
2H-Pyran, 6-butyl-3,6-dihydro-2,4-dimethyl-
CID 91147
2,6-Octadiene, 1-ethoxy-3,7-dimethyl-, (2Z)-
CID 6436546
3-Methoxycyclohex-1-ene
CID 137685
2,6-Octadiene, 1-methoxy-3,7-dimethyl-, (2Z)-
CID 6436330
Farnesyl methyl ether
CID 5365855
4-Methylidene-2-(2-methylprop-1-enyl)oxane
CID 108520
2H-Pyran, 3,6-dihydro-4-(4-methyl-3-penten-1-yl)-
CID 91909
(6E,10E,14E)-3,6,10,14-tetramethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan
CID 23425614
2H-Pyran, 2-butyl-3,6-dihydro-4,6-dimethyl-
CID 91148

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,7-dimethylocta-1,6-diene?
The IUPAC name of 5-methoxy-2,7-dimethylocta-1,6-diene (CID 71364910) is 5-methoxy-2,7-dimethylocta-1,6-diene.
What is the SMILES notation for 5-methoxy-2,7-dimethylocta-1,6-diene?
The canonical SMILES for 5-methoxy-2,7-dimethylocta-1,6-diene is C=C(C)CCC(C=C(C)C)OC.
What is the InChIKey of 5-methoxy-2,7-dimethylocta-1,6-diene?
The InChIKey is XADMTPDRRKVYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)6-7-11(12-5)8-10(3)4/h8,11H,1,6-7H2,2-5H3.
What are the key properties of 5-methoxy-2,7-dimethylocta-1,6-diene?
5-methoxy-2,7-dimethylocta-1,6-diene has a molecular weight of 168.28 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,7-dimethylocta-1,6-diene is sourced from PubChem (CID 71364910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).