(2E,5E)-3,5-dimethyl-4-pent-4-enoxyhepta-2,5-diene

C14H24O — CID 101393435

IUPAC(2E,5E)-3,5-dimethyl-4-pent-4-enoxyhepta-2,5-diene
SMILESC=CCCCOC(/C(C)=C/C)/C(C)=C/C
InChIInChI=1S/C14H24O/c1-6-9-10-11-15-14(12(4)7-2)13(5)8-3/h6-8,14H,1,9-11H2,2-5H3/b12-7+,13-8+
InChIKeyHEMDGBFVCNSAJD-INOXDZRUSA-N
MW208.34 g/mol
LogP4.27
Rot. Bonds7

About (2E,5E)-3,5-dimethyl-4-pent-4-enoxyhepta-2,5-diene

(2E,5E)-3,5-dimethyl-4-pent-4-enoxyhepta-2,5-diene (PubChem CID 101393435) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (2E,5E)-3,5-dimethyl-4-pent-4-enoxyhepta-2,5-diene.

Molecular Properties

Compound Name(2E,5E)-3,5-dimethyl-4-pent-4-enoxyhepta-2,5-diene
PubChem CID101393435
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(2E,5E)-3,5-dimethyl-4-pent-4-enoxyhepta-2,5-diene
SMILESC=CCCCOC(/C(C)=C/C)/C(C)=C/C
InChIInChI=1S/C14H24O/c1-6-9-10-11-15-14(12(4)7-2)13(5)8-3/h6-8,14H,1,9-11H2,2-5H3/b12-7+,13-8+
InChIKeyHEMDGBFVCNSAJD-INOXDZRUSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.27
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
Cyclopentene, 3,3'-oxybis-
CID 27061
(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-methoxy-3,7-dimethyl-, (2Z)-
CID 6436330
2,6-Octadiene, 1-ethoxy-3,7-dimethyl-, (2Z)-
CID 6436546
Ethyl linalyl ether
CID 175211
Farnesyl methyl ether
CID 5365855
1,6-Octadiene, 8-methoxy-
CID 5362853
1-Ethoxy-3,7-dimethylocta-2,6-diene
CID 38415

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-3,5-dimethyl-4-pent-4-enoxyhepta-2,5-diene?
The IUPAC name of (2E,5E)-3,5-dimethyl-4-pent-4-enoxyhepta-2,5-diene (CID 101393435) is (2E,5E)-3,5-dimethyl-4-pent-4-enoxyhepta-2,5-diene.
What is the SMILES notation for (2E,5E)-3,5-dimethyl-4-pent-4-enoxyhepta-2,5-diene?
The canonical SMILES for (2E,5E)-3,5-dimethyl-4-pent-4-enoxyhepta-2,5-diene is C=CCCCOC(/C(C)=C/C)/C(C)=C/C.
What is the InChIKey of (2E,5E)-3,5-dimethyl-4-pent-4-enoxyhepta-2,5-diene?
The InChIKey is HEMDGBFVCNSAJD-INOXDZRUSA-N. The full InChI is InChI=1S/C14H24O/c1-6-9-10-11-15-14(12(4)7-2)13(5)8-3/h6-8,14H,1,9-11H2,2-5H3/b12-7+,13-8+.
What are the key properties of (2E,5E)-3,5-dimethyl-4-pent-4-enoxyhepta-2,5-diene?
(2E,5E)-3,5-dimethyl-4-pent-4-enoxyhepta-2,5-diene has a molecular weight of 208.34 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-3,5-dimethyl-4-pent-4-enoxyhepta-2,5-diene is sourced from PubChem (CID 101393435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).