4-(3,5-diethylhepta-1,6-dien-4-yloxy)-3,5-diethylhepta-1,6-diene

C22H38O — CID 175501318

IUPAC4-(3,5-diethylhepta-1,6-dien-4-yloxy)-3,5-diethylhepta-1,6-diene
SMILESC=CC(CC)C(OC(C(C=C)CC)C(C=C)CC)C(C=C)CC
InChIInChI=1S/C22H38O/c1-9-17(10-2)21(18(11-3)12-4)23-22(19(13-5)14-6)20(15-7)16-8/h9,11,13,15,17-22H,1,3,5,7,10,12,14,16H2,2,4,6,8H3
InChIKeyDQPKTQWWJCHLMD-UHFFFAOYSA-N
MW318.55 g/mol
LogP6.59
Rot. Bonds14

About 4-(3,5-diethylhepta-1,6-dien-4-yloxy)-3,5-diethylhepta-1,6-diene

4-(3,5-diethylhepta-1,6-dien-4-yloxy)-3,5-diethylhepta-1,6-diene (PubChem CID 175501318) has the molecular formula C22H38O and a molecular weight of 318.55 g/mol. Its IUPAC name is 4-(3,5-diethylhepta-1,6-dien-4-yloxy)-3,5-diethylhepta-1,6-diene.

Molecular Properties

Compound Name4-(3,5-diethylhepta-1,6-dien-4-yloxy)-3,5-diethylhepta-1,6-diene
PubChem CID175501318
Molecular FormulaC22H38O
Molecular Weight318.55 g/mol
Exact Mass318.29
IUPAC Name4-(3,5-diethylhepta-1,6-dien-4-yloxy)-3,5-diethylhepta-1,6-diene
SMILESC=CC(CC)C(OC(C(C=C)CC)C(C=C)CC)C(C=C)CC
InChIInChI=1S/C22H38O/c1-9-17(10-2)21(18(11-3)12-4)23-22(19(13-5)14-6)20(15-7)16-8/h9,11,13,15,17-22H,1,3,5,7,10,12,14,16H2,2,4,6,8H3
InChIKeyDQPKTQWWJCHLMD-UHFFFAOYSA-N
XLogP6.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 56.59
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

4-[1-Fluoro-4-(3-methylbutoxy)butoxy]-5-prop-2-enylocta-1,7-diene
CID 169686091
[1-(Hexyloxy)but-3-EN-1-YL]cyclohexane
CID 15174029
(4S,5S)-4-methyl-5-[(2-methylpropan-2-yl)oxy]oct-1-ene
CID 15247708
(3S,4S,5S)-3,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]oct-1-ene
CID 15668626
4-Ethenoxy-6-methylhept-1-ene
CID 101377740
1-Heptene, 5-methoxy-4-methyl-
CID 551990
4-Methoxy-5-methyloct-1-ene
CID 13284928
3-Ethenyl-2,5-diheptyltetrahydrofuran
CID 101635053
4-Ethoxy-4,5-bis(prop-2-enyl)octa-1,7-diene
CID 20553350
3-Methyl-4-(3-methylnon-1-en-4-yloxy)non-1-ene
CID 22465178
5-Methoxy-6-methylhept-1-ene
CID 23385176
2,4,8-Trimethyl-6-non-8-enoxynonane
CID 23466500

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-diethylhepta-1,6-dien-4-yloxy)-3,5-diethylhepta-1,6-diene?
The IUPAC name of 4-(3,5-diethylhepta-1,6-dien-4-yloxy)-3,5-diethylhepta-1,6-diene (CID 175501318) is 4-(3,5-diethylhepta-1,6-dien-4-yloxy)-3,5-diethylhepta-1,6-diene.
What is the SMILES notation for 4-(3,5-diethylhepta-1,6-dien-4-yloxy)-3,5-diethylhepta-1,6-diene?
The canonical SMILES for 4-(3,5-diethylhepta-1,6-dien-4-yloxy)-3,5-diethylhepta-1,6-diene is C=CC(CC)C(OC(C(C=C)CC)C(C=C)CC)C(C=C)CC.
What is the InChIKey of 4-(3,5-diethylhepta-1,6-dien-4-yloxy)-3,5-diethylhepta-1,6-diene?
The InChIKey is DQPKTQWWJCHLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O/c1-9-17(10-2)21(18(11-3)12-4)23-22(19(13-5)14-6)20(15-7)16-8/h9,11,13,15,17-22H,1,3,5,7,10,12,14,16H2,2,4,6,8H3.
What are the key properties of 4-(3,5-diethylhepta-1,6-dien-4-yloxy)-3,5-diethylhepta-1,6-diene?
4-(3,5-diethylhepta-1,6-dien-4-yloxy)-3,5-diethylhepta-1,6-diene has a molecular weight of 318.55 g/mol, XLogP of 6.59, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diethylhepta-1,6-dien-4-yloxy)-3,5-diethylhepta-1,6-diene is sourced from PubChem (CID 175501318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).