2-(3-heptadec-8-enoxypropyl)-1,3-dioxolane

C23H44O3 — CID 54311506

IUPAC2-(3-heptadec-8-enoxypropyl)-1,3-dioxolane
SMILESCCCCCCCCC=CCCCCCCCOCCCC1OCCO1
InChIInChI=1S/C23H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-20-17-18-23-25-21-22-26-23/h9-10,23H,2-8,11-22H2,1H3
InChIKeySLFIOHVYRAVYDR-UHFFFAOYSA-N
MW368.60 g/mol
LogP6.80
Rot. Bonds19

About 2-(3-heptadec-8-enoxypropyl)-1,3-dioxolane

2-(3-heptadec-8-enoxypropyl)-1,3-dioxolane (PubChem CID 54311506) has the molecular formula C23H44O3 and a molecular weight of 368.60 g/mol. Its IUPAC name is 2-(3-heptadec-8-enoxypropyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-heptadec-8-enoxypropyl)-1,3-dioxolane
PubChem CID54311506
Molecular FormulaC23H44O3
Molecular Weight368.60 g/mol
Exact Mass368.33
IUPAC Name2-(3-heptadec-8-enoxypropyl)-1,3-dioxolane
SMILESCCCCCCCCC=CCCCCCCCOCCCC1OCCO1
InChIInChI=1S/C23H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-20-17-18-23-25-21-22-26-23/h9-10,23H,2-8,11-22H2,1H3
InChIKeySLFIOHVYRAVYDR-UHFFFAOYSA-N
XLogP6.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.60
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-(35-chloropentatriaconta-12,24-dienyl)-1,3-dioxolane;hexane
CID 68609176
(Z)-1-butoxyheptadec-8-ene
CID 87205101
1-undec-4-enoxyundec-4-ene
CID 91358832
(Z)-1-(2-propoxyethoxy)octadec-9-ene
CID 121476688
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-[[(Z)-octadec-9-enoxy]methyl]oxirane;1-[(Z)-octadec-9-enoxy]-3-octoxypropan-2-ol
CID 158034991
(Z)-13-propoxytridec-5-ene
CID 87204974
(Z)-1-ethoxypentadec-7-ene
CID 87516958
(Z)-1-ethoxynonadec-9-ene
CID 87517612
1-icosa-5,8,11,14-tetraenoxyicosa-5,8,11,14-tetraene
CID 54078001
15-ethoxypentadec-7-ene
CID 91170991

Frequently Asked Questions

What is the IUPAC name of 2-(3-heptadec-8-enoxypropyl)-1,3-dioxolane?
The IUPAC name of 2-(3-heptadec-8-enoxypropyl)-1,3-dioxolane (CID 54311506) is 2-(3-heptadec-8-enoxypropyl)-1,3-dioxolane.
What is the SMILES notation for 2-(3-heptadec-8-enoxypropyl)-1,3-dioxolane?
The canonical SMILES for 2-(3-heptadec-8-enoxypropyl)-1,3-dioxolane is CCCCCCCCC=CCCCCCCCOCCCC1OCCO1.
What is the InChIKey of 2-(3-heptadec-8-enoxypropyl)-1,3-dioxolane?
The InChIKey is SLFIOHVYRAVYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-20-17-18-23-25-21-22-26-23/h9-10,23H,2-8,11-22H2,1H3.
What are the key properties of 2-(3-heptadec-8-enoxypropyl)-1,3-dioxolane?
2-(3-heptadec-8-enoxypropyl)-1,3-dioxolane has a molecular weight of 368.60 g/mol, XLogP of 6.80, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-heptadec-8-enoxypropyl)-1,3-dioxolane is sourced from PubChem (CID 54311506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).