(Z)-1-(1,3-dioxolan-2-yl)icos-11-en-3-ol

C23H44O3 — CID 67916379

IUPAC(Z)-1-(1,3-dioxolan-2-yl)icos-11-en-3-ol
SMILESCCCCCCCC/C=C\CCCCCCCC(O)CCC1OCCO1
InChIInChI=1S/C23H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)18-19-23-25-20-21-26-23/h9-10,22-24H,2-8,11-21H2,1H3/b10-9-
InChIKeyKOSRDOQSIMUJPA-KTKRTIGZSA-N
MW368.60 g/mol
LogP6.54
Rot. Bonds18

About (Z)-1-(1,3-dioxolan-2-yl)icos-11-en-3-ol

(Z)-1-(1,3-dioxolan-2-yl)icos-11-en-3-ol (PubChem CID 67916379) has the molecular formula C23H44O3 and a molecular weight of 368.60 g/mol. Its IUPAC name is (Z)-1-(1,3-dioxolan-2-yl)icos-11-en-3-ol.

Molecular Properties

Compound Name(Z)-1-(1,3-dioxolan-2-yl)icos-11-en-3-ol
PubChem CID67916379
Molecular FormulaC23H44O3
Molecular Weight368.60 g/mol
Exact Mass368.33
IUPAC Name(Z)-1-(1,3-dioxolan-2-yl)icos-11-en-3-ol
SMILESCCCCCCCC/C=C\CCCCCCCC(O)CCC1OCCO1
InChIInChI=1S/C23H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)18-19-23-25-20-21-26-23/h9-10,22-24H,2-8,11-21H2,1H3/b10-9-
InChIKeyKOSRDOQSIMUJPA-KTKRTIGZSA-N
XLogP6.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.60
LogP ≤ 56.54
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1,3-dioxolan-2-yl)icos-11-en-3-ol?
The IUPAC name of (Z)-1-(1,3-dioxolan-2-yl)icos-11-en-3-ol (CID 67916379) is (Z)-1-(1,3-dioxolan-2-yl)icos-11-en-3-ol.
What is the SMILES notation for (Z)-1-(1,3-dioxolan-2-yl)icos-11-en-3-ol?
The canonical SMILES for (Z)-1-(1,3-dioxolan-2-yl)icos-11-en-3-ol is CCCCCCCC/C=C\CCCCCCCC(O)CCC1OCCO1.
What is the InChIKey of (Z)-1-(1,3-dioxolan-2-yl)icos-11-en-3-ol?
The InChIKey is KOSRDOQSIMUJPA-KTKRTIGZSA-N. The full InChI is InChI=1S/C23H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)18-19-23-25-20-21-26-23/h9-10,22-24H,2-8,11-21H2,1H3/b10-9-.
What are the key properties of (Z)-1-(1,3-dioxolan-2-yl)icos-11-en-3-ol?
(Z)-1-(1,3-dioxolan-2-yl)icos-11-en-3-ol has a molecular weight of 368.60 g/mol, XLogP of 6.54, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1,3-dioxolan-2-yl)icos-11-en-3-ol is sourced from PubChem (CID 67916379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).