(Z)-1-(2-propoxyethoxy)octadec-9-ene

C23H46O2 — CID 121476688

IUPAC(Z)-1-(2-propoxyethoxy)octadec-9-ene
SMILESCCCCCCCC/C=C\CCCCCCCCOCCOCCC
InChIInChI=1S/C23H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-23-22-24-20-4-2/h11-12H,3-10,13-23H2,1-2H3/b12-11-
InChIKeyCCXHSEYPSDOYEC-QXMHVHEDSA-N
MW354.62 g/mol
LogP7.47
Rot. Bonds21

About (Z)-1-(2-propoxyethoxy)octadec-9-ene

(Z)-1-(2-propoxyethoxy)octadec-9-ene (PubChem CID 121476688) has the molecular formula C23H46O2 and a molecular weight of 354.62 g/mol. Its IUPAC name is (Z)-1-(2-propoxyethoxy)octadec-9-ene.

Molecular Properties

Compound Name(Z)-1-(2-propoxyethoxy)octadec-9-ene
PubChem CID121476688
Molecular FormulaC23H46O2
Molecular Weight354.62 g/mol
Exact Mass354.35
IUPAC Name(Z)-1-(2-propoxyethoxy)octadec-9-ene
SMILESCCCCCCCC/C=C\CCCCCCCCOCCOCCC
InChIInChI=1S/C23H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-23-22-24-20-4-2/h11-12H,3-10,13-23H2,1-2H3/b12-11-
InChIKeyCCXHSEYPSDOYEC-QXMHVHEDSA-N
XLogP7.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-13-propoxytridec-5-ene
CID 87204974
(Z)-1-butoxyheptadec-8-ene
CID 87205101
1-undec-4-enoxyundec-4-ene
CID 91358832
2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethanol
CID 85060270
2-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadec-9-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 170920421
2-[2-[2-[2-[2-[2-[(E)-octadec-6-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 139597376
(Z)-1-[2-(2-fluoroethoxy)ethoxy]octadec-9-ene
CID 24749144
(Z)-1-ethoxynonadec-9-ene
CID 87517612
(Z)-1-ethoxypentadec-7-ene
CID 87516958
1-icosa-5,8,11,14-tetraenoxyicosa-5,8,11,14-tetraene
CID 54078001
15-ethoxypentadec-7-ene
CID 91170991
(E)-9-propoxynon-2-ene
CID 22172137

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-propoxyethoxy)octadec-9-ene?
The IUPAC name of (Z)-1-(2-propoxyethoxy)octadec-9-ene (CID 121476688) is (Z)-1-(2-propoxyethoxy)octadec-9-ene.
What is the SMILES notation for (Z)-1-(2-propoxyethoxy)octadec-9-ene?
The canonical SMILES for (Z)-1-(2-propoxyethoxy)octadec-9-ene is CCCCCCCC/C=C\CCCCCCCCOCCOCCC.
What is the InChIKey of (Z)-1-(2-propoxyethoxy)octadec-9-ene?
The InChIKey is CCXHSEYPSDOYEC-QXMHVHEDSA-N. The full InChI is InChI=1S/C23H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-23-22-24-20-4-2/h11-12H,3-10,13-23H2,1-2H3/b12-11-.
What are the key properties of (Z)-1-(2-propoxyethoxy)octadec-9-ene?
(Z)-1-(2-propoxyethoxy)octadec-9-ene has a molecular weight of 354.62 g/mol, XLogP of 7.47, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-propoxyethoxy)octadec-9-ene is sourced from PubChem (CID 121476688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).