2-(35-chloropentatriaconta-11,23-dienyl)-1,3-dioxolane

C38H71ClO2 — CID 69493253

IUPAC2-(35-chloropentatriaconta-11,23-dienyl)-1,3-dioxolane
SMILESClCCCCCCCCCCCC=CCCCCCCCCCCC=CCCCCCCCCCCC1OCCO1
InChIInChI=1S/C38H71ClO2/c39-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-40-36-37-41-38/h11-14,38H,1-10,15-37H2
InChIKeyOXOAXIMYMZDPRQ-UHFFFAOYSA-N
MW595.44 g/mol
LogP13.41
Rot. Bonds33

About 2-(35-chloropentatriaconta-11,23-dienyl)-1,3-dioxolane

2-(35-chloropentatriaconta-11,23-dienyl)-1,3-dioxolane (PubChem CID 69493253) has the molecular formula C38H71ClO2 and a molecular weight of 595.44 g/mol. Its IUPAC name is 2-(35-chloropentatriaconta-11,23-dienyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(35-chloropentatriaconta-11,23-dienyl)-1,3-dioxolane
PubChem CID69493253
Molecular FormulaC38H71ClO2
Molecular Weight595.44 g/mol
Exact Mass594.51
IUPAC Name2-(35-chloropentatriaconta-11,23-dienyl)-1,3-dioxolane
SMILESClCCCCCCCCCCCC=CCCCCCCCCCCC=CCCCCCCCCCCC1OCCO1
InChIInChI=1S/C38H71ClO2/c39-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-40-36-37-41-38/h11-14,38H,1-10,15-37H2
InChIKeyOXOAXIMYMZDPRQ-UHFFFAOYSA-N
XLogP13.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds33
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.44
LogP ≤ 513.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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
2-(4-chlorobutyl)-1,3-dioxolane
CID 5163683
3-chloropropanal;2-(3-chloropropyl)-1,3-dioxolane
CID 161036340
6-(1,3-dioxolan-2-yl)hexanal
CID 13164762
1,17-dichloroheptadec-8-ene
CID 168864753
(E)-1,10-dichlorodec-5-ene
CID 12889943
2-[(4E)-hepta-4,6-dienyl]-1,3-dioxolane
CID 10419573
2-[(4Z,10Z,13Z,16Z)-nonadeca-4,10,13,16-tetraenyl]-1,3-dioxolane
CID 46243153
2-(3-chloropropyl)-1,3-dioxepane
CID 14318108
[(E)-23-(1,3-dioxolan-2-yl)tricos-12-enyl]-triphenylphosphanium
CID 10794749
2-(3-heptadec-8-enoxypropyl)-1,3-dioxolane
CID 54311506
2-(25-chloropentacosyl)oxirane
CID 89371586

Frequently Asked Questions

What is the IUPAC name of 2-(35-chloropentatriaconta-11,23-dienyl)-1,3-dioxolane?
The IUPAC name of 2-(35-chloropentatriaconta-11,23-dienyl)-1,3-dioxolane (CID 69493253) is 2-(35-chloropentatriaconta-11,23-dienyl)-1,3-dioxolane.
What is the SMILES notation for 2-(35-chloropentatriaconta-11,23-dienyl)-1,3-dioxolane?
The canonical SMILES for 2-(35-chloropentatriaconta-11,23-dienyl)-1,3-dioxolane is ClCCCCCCCCCCCC=CCCCCCCCCCCC=CCCCCCCCCCCC1OCCO1.
What is the InChIKey of 2-(35-chloropentatriaconta-11,23-dienyl)-1,3-dioxolane?
The InChIKey is OXOAXIMYMZDPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H71ClO2/c39-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-40-36-37-41-38/h11-14,38H,1-10,15-37H2.
What are the key properties of 2-(35-chloropentatriaconta-11,23-dienyl)-1,3-dioxolane?
2-(35-chloropentatriaconta-11,23-dienyl)-1,3-dioxolane has a molecular weight of 595.44 g/mol, XLogP of 13.41, 33 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(35-chloropentatriaconta-11,23-dienyl)-1,3-dioxolane is sourced from PubChem (CID 69493253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).