(7R)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-one

C11H16O4S — CID 10354475

IUPAC(7R)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-one
SMILESO=C1CCO[C@@]2(C1)CC1(CCS2)OCCO1
InChIInChI=1S/C11H16O4S/c12-9-1-3-15-11(7-9)8-10(2-6-16-11)13-4-5-14-10/h1-8H2/t11-/m1/s1
InChIKeyDRZWKDVUBNUUEI-LLVKDONJSA-N
MW244.31 g/mol
LogP1.33
Rot. Bonds

About (7R)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-one

(7R)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-one (PubChem CID 10354475) has the molecular formula C11H16O4S and a molecular weight of 244.31 g/mol. Its IUPAC name is (7R)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-one.

Molecular Properties

Compound Name(7R)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-one
PubChem CID10354475
Molecular FormulaC11H16O4S
Molecular Weight244.31 g/mol
Exact Mass244.08
IUPAC Name(7R)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-one
SMILESO=C1CCO[C@@]2(C1)CC1(CCS2)OCCO1
InChIInChI=1S/C11H16O4S/c12-9-1-3-15-11(7-9)8-10(2-6-16-11)13-4-5-14-10/h1-8H2/t11-/m1/s1
InChIKeyDRZWKDVUBNUUEI-LLVKDONJSA-N
XLogP1.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7R)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-[(R)-[(6S)-1,4-dioxa-8-thiaspiro[4.5]decan-6-yl]-(methoxymethoxy)methyl]thian-4-one
CID 46703292
1,4-Dioxa-12-thiadispiro[4.0.56.45]pentadecan-7-one
CID 172612278
(3S)-3-[(R)-[(6R)-1,4-dioxa-8-thiaspiro[4.5]decan-6-yl]-(methoxymethoxy)methyl]thian-4-one
CID 21574356
(3R)-3-[(R)-[(6R)-1,4-dioxa-8-thiaspiro[4.5]decan-6-yl]-(methoxymethoxy)methyl]thian-4-one
CID 21574357
(3S)-3-[(S)-[(6R)-1,4-dioxa-8-thiaspiro[4.5]decan-6-yl]-(methoxymethoxy)methyl]thian-4-one
CID 101477856
(3S)-3-[(S)-[(6S)-1,4-dioxa-8-thiaspiro[4.5]decan-6-yl]-(methoxymethoxy)methyl]thian-4-one
CID 101477857
(3R)-3-[(R)-[(6S)-1,4-dioxa-8-thiaspiro[4.5]decan-6-yl]-(methoxymethoxy)methyl]thian-4-one
CID 102311906

Frequently Asked Questions

What is the IUPAC name of (7R)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-one?
The IUPAC name of (7R)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-one (CID 10354475) is (7R)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-one.
What is the SMILES notation for (7R)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-one?
The canonical SMILES for (7R)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-one is O=C1CCO[C@@]2(C1)CC1(CCS2)OCCO1.
What is the InChIKey of (7R)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-one?
The InChIKey is DRZWKDVUBNUUEI-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16O4S/c12-9-1-3-15-11(7-9)8-10(2-6-16-11)13-4-5-14-10/h1-8H2/t11-/m1/s1.
What are the key properties of (7R)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-one?
(7R)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-one has a molecular weight of 244.31 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-1,4,8-trioxa-13-thiadispiro[4.1.57.35]pentadecan-11-one is sourced from PubChem (CID 10354475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).