(4S)-4-[(2S,4S)-4-(1,3-dithian-2-yl)pentan-2-yl]-2,2-dimethyl-1,3-dioxolane

C14H26O2S2 — CID 11098266

IUPAC(4S)-4-[(2S,4S)-4-(1,3-dithian-2-yl)pentan-2-yl]-2,2-dimethyl-1,3-dioxolane
SMILESC[C@@H](C[C@H](C)[C@H]1COC(C)(C)O1)C1SCCCS1
InChIInChI=1S/C14H26O2S2/c1-10(12-9-15-14(3,4)16-12)8-11(2)13-17-6-5-7-18-13/h10-13H,5-9H2,1-4H3/t10-,11-,12+/m0/s1
InChIKeyKTHOPNDXRLONMD-SDDRHHMPSA-N
MW290.49 g/mol
LogP4.00
Rot. Bonds4

About (4S)-4-[(2S,4S)-4-(1,3-dithian-2-yl)pentan-2-yl]-2,2-dimethyl-1,3-dioxolane

(4S)-4-[(2S,4S)-4-(1,3-dithian-2-yl)pentan-2-yl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 11098266) has the molecular formula C14H26O2S2 and a molecular weight of 290.49 g/mol. Its IUPAC name is (4S)-4-[(2S,4S)-4-(1,3-dithian-2-yl)pentan-2-yl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4-[(2S,4S)-4-(1,3-dithian-2-yl)pentan-2-yl]-2,2-dimethyl-1,3-dioxolane
PubChem CID11098266
Molecular FormulaC14H26O2S2
Molecular Weight290.49 g/mol
Exact Mass290.14
IUPAC Name(4S)-4-[(2S,4S)-4-(1,3-dithian-2-yl)pentan-2-yl]-2,2-dimethyl-1,3-dioxolane
SMILESC[C@@H](C[C@H](C)[C@H]1COC(C)(C)O1)C1SCCCS1
InChIInChI=1S/C14H26O2S2/c1-10(12-9-15-14(3,4)16-12)8-11(2)13-17-6-5-7-18-13/h10-13H,5-9H2,1-4H3/t10-,11-,12+/m0/s1
InChIKeyKTHOPNDXRLONMD-SDDRHHMPSA-N
XLogP4.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.49
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-[(2S,4S)-4-(1,3-dithian-2-yl)pentan-2-yl]-2,2-dimethyl-1,3-dioxolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2S,4S)-4-(1,3-dithian-2-yl)pentan-2-yl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4S)-4-[(2S,4S)-4-(1,3-dithian-2-yl)pentan-2-yl]-2,2-dimethyl-1,3-dioxolane (CID 11098266) is (4S)-4-[(2S,4S)-4-(1,3-dithian-2-yl)pentan-2-yl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4S)-4-[(2S,4S)-4-(1,3-dithian-2-yl)pentan-2-yl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4S)-4-[(2S,4S)-4-(1,3-dithian-2-yl)pentan-2-yl]-2,2-dimethyl-1,3-dioxolane is C[C@@H](C[C@H](C)[C@H]1COC(C)(C)O1)C1SCCCS1.
What is the InChIKey of (4S)-4-[(2S,4S)-4-(1,3-dithian-2-yl)pentan-2-yl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is KTHOPNDXRLONMD-SDDRHHMPSA-N. The full InChI is InChI=1S/C14H26O2S2/c1-10(12-9-15-14(3,4)16-12)8-11(2)13-17-6-5-7-18-13/h10-13H,5-9H2,1-4H3/t10-,11-,12+/m0/s1.
What are the key properties of (4S)-4-[(2S,4S)-4-(1,3-dithian-2-yl)pentan-2-yl]-2,2-dimethyl-1,3-dioxolane?
(4S)-4-[(2S,4S)-4-(1,3-dithian-2-yl)pentan-2-yl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 290.49 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2S,4S)-4-(1,3-dithian-2-yl)pentan-2-yl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 11098266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).