(2E)-3,7-dimethyl-1-(2-methylpropoxy)octa-2,6-diene

C14H26O — CID 163184442

IUPAC(2E)-3,7-dimethyl-1-(2-methylpropoxy)octa-2,6-diene
SMILESCC(C)=CCC/C(C)=C/COCC(C)C
InChIInChI=1S/C14H26O/c1-12(2)7-6-8-14(5)9-10-15-11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9+
InChIKeyWJRPOIOZEYYYBP-NTEUORMPSA-N
MW210.36 g/mol
LogP4.35
Rot. Bonds7

About (2E)-3,7-dimethyl-1-(2-methylpropoxy)octa-2,6-diene

(2E)-3,7-dimethyl-1-(2-methylpropoxy)octa-2,6-diene (PubChem CID 163184442) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is (2E)-3,7-dimethyl-1-(2-methylpropoxy)octa-2,6-diene.

Molecular Properties

Compound Name(2E)-3,7-dimethyl-1-(2-methylpropoxy)octa-2,6-diene
PubChem CID163184442
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name(2E)-3,7-dimethyl-1-(2-methylpropoxy)octa-2,6-diene
SMILESCC(C)=CCC/C(C)=C/COCC(C)C
InChIInChI=1S/C14H26O/c1-12(2)7-6-8-14(5)9-10-15-11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9+
InChIKeyWJRPOIOZEYYYBP-NTEUORMPSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
Digeranyl ether
CID 6441535
(2E)-1-Methoxy-3,7-dimethyl-2,6-octadiene
CID 5365849
2,6-Octadiene, 1-methoxy-3,7-dimethyl-, (2Z)-
CID 6436330
2,6-Octadiene, 1-ethoxy-3,7-dimethyl-, (2Z)-
CID 6436546
Farnesyl methyl ether
CID 5365855
1,6-Octadiene, 8-methoxy-
CID 5362853
1-Ethoxy-3,7-dimethylocta-2,6-diene
CID 38415
2H-Pyran, 3,6-dihydro-5-(4-methyl-3-pentenyl)-
CID 172806
3,7,11-Trimethyl-1-(3,7,11-trimethyl-dodeca-2,6,10-trienyloxy)-dodeca-2,6,10-triene
CID 9979928
(2E)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene
CID 12153891

Frequently Asked Questions

What is the IUPAC name of (2E)-3,7-dimethyl-1-(2-methylpropoxy)octa-2,6-diene?
The IUPAC name of (2E)-3,7-dimethyl-1-(2-methylpropoxy)octa-2,6-diene (CID 163184442) is (2E)-3,7-dimethyl-1-(2-methylpropoxy)octa-2,6-diene.
What is the SMILES notation for (2E)-3,7-dimethyl-1-(2-methylpropoxy)octa-2,6-diene?
The canonical SMILES for (2E)-3,7-dimethyl-1-(2-methylpropoxy)octa-2,6-diene is CC(C)=CCC/C(C)=C/COCC(C)C.
What is the InChIKey of (2E)-3,7-dimethyl-1-(2-methylpropoxy)octa-2,6-diene?
The InChIKey is WJRPOIOZEYYYBP-NTEUORMPSA-N. The full InChI is InChI=1S/C14H26O/c1-12(2)7-6-8-14(5)9-10-15-11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9+.
What are the key properties of (2E)-3,7-dimethyl-1-(2-methylpropoxy)octa-2,6-diene?
(2E)-3,7-dimethyl-1-(2-methylpropoxy)octa-2,6-diene has a molecular weight of 210.36 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3,7-dimethyl-1-(2-methylpropoxy)octa-2,6-diene is sourced from PubChem (CID 163184442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).