2-[10-(1,3-dithiolan-2-yl)decyl]-1,3-dioxolane

C16H30O2S2 — CID 102187773

IUPAC2-[10-(1,3-dithiolan-2-yl)decyl]-1,3-dioxolane
SMILESC(CCCCCC1SCCS1)CCCCC1OCCO1
InChIInChI=1S/C16H30O2S2/c1(3-5-7-9-15-17-11-12-18-15)2-4-6-8-10-16-19-13-14-20-16/h15-16H,1-14H2
InChIKeyLDNXJRSCFNTQBC-UHFFFAOYSA-N
MW318.55 g/mol
LogP5.07
Rot. Bonds11

About 2-[10-(1,3-dithiolan-2-yl)decyl]-1,3-dioxolane

2-[10-(1,3-dithiolan-2-yl)decyl]-1,3-dioxolane (PubChem CID 102187773) has the molecular formula C16H30O2S2 and a molecular weight of 318.55 g/mol. Its IUPAC name is 2-[10-(1,3-dithiolan-2-yl)decyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[10-(1,3-dithiolan-2-yl)decyl]-1,3-dioxolane
PubChem CID102187773
Molecular FormulaC16H30O2S2
Molecular Weight318.55 g/mol
Exact Mass318.17
IUPAC Name2-[10-(1,3-dithiolan-2-yl)decyl]-1,3-dioxolane
SMILESC(CCCCCC1SCCS1)CCCCC1OCCO1
InChIInChI=1S/C16H30O2S2/c1(3-5-7-9-15-17-11-12-18-15)2-4-6-8-10-16-19-13-14-20-16/h15-16H,1-14H2
InChIKeyLDNXJRSCFNTQBC-UHFFFAOYSA-N
XLogP5.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[10-(1,3-dithiolan-2-yl)decyl]-1,3-dioxolane?
The IUPAC name of 2-[10-(1,3-dithiolan-2-yl)decyl]-1,3-dioxolane (CID 102187773) is 2-[10-(1,3-dithiolan-2-yl)decyl]-1,3-dioxolane.
What is the SMILES notation for 2-[10-(1,3-dithiolan-2-yl)decyl]-1,3-dioxolane?
The canonical SMILES for 2-[10-(1,3-dithiolan-2-yl)decyl]-1,3-dioxolane is C(CCCCCC1SCCS1)CCCCC1OCCO1.
What is the InChIKey of 2-[10-(1,3-dithiolan-2-yl)decyl]-1,3-dioxolane?
The InChIKey is LDNXJRSCFNTQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2S2/c1(3-5-7-9-15-17-11-12-18-15)2-4-6-8-10-16-19-13-14-20-16/h15-16H,1-14H2.
What are the key properties of 2-[10-(1,3-dithiolan-2-yl)decyl]-1,3-dioxolane?
2-[10-(1,3-dithiolan-2-yl)decyl]-1,3-dioxolane has a molecular weight of 318.55 g/mol, XLogP of 5.07, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(1,3-dithiolan-2-yl)decyl]-1,3-dioxolane is sourced from PubChem (CID 102187773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).