4-[(1E)-dodeca-1,11-dienyl]oxane

C17H30O — CID 169432355

IUPAC4-[(1E)-dodeca-1,11-dienyl]oxane
SMILESC=CCCCCCCCC/C=C/C1CCOCC1
InChIInChI=1S/C17H30O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18-16-14-17/h2,11-12,17H,1,3-10,13-16H2/b12-11+
InChIKeyBWFDZLXRLDZBBS-VAWYXSNFSA-N
MW250.43 g/mol
LogP5.28
Rot. Bonds10

About 4-[(1E)-dodeca-1,11-dienyl]oxane

4-[(1E)-dodeca-1,11-dienyl]oxane (PubChem CID 169432355) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 4-[(1E)-dodeca-1,11-dienyl]oxane.

Molecular Properties

Compound Name4-[(1E)-dodeca-1,11-dienyl]oxane
PubChem CID169432355
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name4-[(1E)-dodeca-1,11-dienyl]oxane
SMILESC=CCCCCCCCC/C=C/C1CCOCC1
InChIInChI=1S/C17H30O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18-16-14-17/h2,11-12,17H,1,3-10,13-16H2/b12-11+
InChIKeyBWFDZLXRLDZBBS-VAWYXSNFSA-N
XLogP5.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.28
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

4-[(E)-prop-1-enyl]oxane
CID 21691514
4-(Ethoxymethyl)cyclohexene
CID 85982053
(E)-4-(3,3-dimethylbut-1-en-1-yl)tetrahydro-2H-pyran
CID 126642344
4-(Cyclohex-3-en-1-ylmethoxymethyl)cyclohexene
CID 57199870
(E)-4-(2-cyclohexylvinyl)tetrahydro-2H-pyran
CID 169432357
4-[(E)-non-1-enyl]oxane
CID 176426755
2-Hept-4-enoxyethylcyclohexane
CID 56977633
2-Oct-3-enoxyethylcyclohexane
CID 56984926
3-Hex-4-enoxypropylcyclohexane
CID 57064427
3-Hept-5-enoxypropylcyclohexane
CID 57074807
2-Hex-4-enoxyethylcyclohexane
CID 57195056
3-Oct-5-enoxypropylcyclohexane
CID 57218622

Frequently Asked Questions

What is the IUPAC name of 4-[(1E)-dodeca-1,11-dienyl]oxane?
The IUPAC name of 4-[(1E)-dodeca-1,11-dienyl]oxane (CID 169432355) is 4-[(1E)-dodeca-1,11-dienyl]oxane.
What is the SMILES notation for 4-[(1E)-dodeca-1,11-dienyl]oxane?
The canonical SMILES for 4-[(1E)-dodeca-1,11-dienyl]oxane is C=CCCCCCCCC/C=C/C1CCOCC1.
What is the InChIKey of 4-[(1E)-dodeca-1,11-dienyl]oxane?
The InChIKey is BWFDZLXRLDZBBS-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H30O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18-16-14-17/h2,11-12,17H,1,3-10,13-16H2/b12-11+.
What are the key properties of 4-[(1E)-dodeca-1,11-dienyl]oxane?
4-[(1E)-dodeca-1,11-dienyl]oxane has a molecular weight of 250.43 g/mol, XLogP of 5.28, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E)-dodeca-1,11-dienyl]oxane is sourced from PubChem (CID 169432355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).