1-undec-4-enoxyundec-4-ene

C22H42O — CID 91358832

IUPAC1-undec-4-enoxyundec-4-ene
SMILESCCCCCCC=CCCCOCCCC=CCCCCCC
InChIInChI=1S/C22H42O/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h13-16H,3-12,17-22H2,1-2H3
InChIKeyKOXLRLFSMWVONN-UHFFFAOYSA-N
MW322.58 g/mol
LogP7.62
Rot. Bonds18

About 1-undec-4-enoxyundec-4-ene

1-undec-4-enoxyundec-4-ene (PubChem CID 91358832) has the molecular formula C22H42O and a molecular weight of 322.58 g/mol. Its IUPAC name is 1-undec-4-enoxyundec-4-ene.

Molecular Properties

Compound Name1-undec-4-enoxyundec-4-ene
PubChem CID91358832
Molecular FormulaC22H42O
Molecular Weight322.58 g/mol
Exact Mass322.32
IUPAC Name1-undec-4-enoxyundec-4-ene
SMILESCCCCCCC=CCCCOCCCC=CCCCCCC
InChIInChI=1S/C22H42O/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h13-16H,3-12,17-22H2,1-2H3
InChIKeyKOXLRLFSMWVONN-UHFFFAOYSA-N
XLogP7.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 57.62
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

(Z)-1-butoxyheptadec-8-ene
CID 87205101
(Z)-1-ethoxypentadec-7-ene
CID 87516958
(Z)-1-ethoxynonadec-9-ene
CID 87517612
15-ethoxypentadec-7-ene
CID 91170991
(Z)-1-(2-propoxyethoxy)octadec-9-ene
CID 121476688
(Z)-13-propoxytridec-5-ene
CID 87204974
(Z)-13-ethoxytridec-5-ene
CID 87205027
1-icosa-5,8,11,14-tetraenoxyicosa-5,8,11,14-tetraene
CID 54078001
3-[(E)-pentadec-4-enoxy]propanenitrile
CID 101282700
(E)-nonacos-10-ene
CID 14367300
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(E)-hexadec-6-ene
CID 5352260

Frequently Asked Questions

What is the IUPAC name of 1-undec-4-enoxyundec-4-ene?
The IUPAC name of 1-undec-4-enoxyundec-4-ene (CID 91358832) is 1-undec-4-enoxyundec-4-ene.
What is the SMILES notation for 1-undec-4-enoxyundec-4-ene?
The canonical SMILES for 1-undec-4-enoxyundec-4-ene is CCCCCCC=CCCCOCCCC=CCCCCCC.
What is the InChIKey of 1-undec-4-enoxyundec-4-ene?
The InChIKey is KOXLRLFSMWVONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h13-16H,3-12,17-22H2,1-2H3.
What are the key properties of 1-undec-4-enoxyundec-4-ene?
1-undec-4-enoxyundec-4-ene has a molecular weight of 322.58 g/mol, XLogP of 7.62, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-undec-4-enoxyundec-4-ene is sourced from PubChem (CID 91358832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).