(3-ethyl-8,10-dimethyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol

C13H24O3S — CID 20734140

IUPAC(3-ethyl-8,10-dimethyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol
SMILESCCC1(CO)COC2(CC(C)SC(C)C2)OC1
InChIInChI=1S/C13H24O3S/c1-4-12(7-14)8-15-13(16-9-12)5-10(2)17-11(3)6-13/h10-11,14H,4-9H2,1-3H3
InChIKeyKSJYZMVVVBMBMR-UHFFFAOYSA-N
MW260.40 g/mol
LogP2.42
Rot. Bonds2

About (3-ethyl-8,10-dimethyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol

(3-ethyl-8,10-dimethyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol (PubChem CID 20734140) has the molecular formula C13H24O3S and a molecular weight of 260.40 g/mol. Its IUPAC name is (3-ethyl-8,10-dimethyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol.

Molecular Properties

Compound Name(3-ethyl-8,10-dimethyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol
PubChem CID20734140
Molecular FormulaC13H24O3S
Molecular Weight260.40 g/mol
Exact Mass260.14
IUPAC Name(3-ethyl-8,10-dimethyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol
SMILESCCC1(CO)COC2(CC(C)SC(C)C2)OC1
InChIInChI=1S/C13H24O3S/c1-4-12(7-14)8-15-13(16-9-12)5-10(2)17-11(3)6-13/h10-11,14H,4-9H2,1-3H3
InChIKeyKSJYZMVVVBMBMR-UHFFFAOYSA-N
XLogP2.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-8,10-dimethyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol?
The IUPAC name of (3-ethyl-8,10-dimethyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol (CID 20734140) is (3-ethyl-8,10-dimethyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol.
What is the SMILES notation for (3-ethyl-8,10-dimethyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol?
The canonical SMILES for (3-ethyl-8,10-dimethyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol is CCC1(CO)COC2(CC(C)SC(C)C2)OC1.
What is the InChIKey of (3-ethyl-8,10-dimethyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol?
The InChIKey is KSJYZMVVVBMBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3S/c1-4-12(7-14)8-15-13(16-9-12)5-10(2)17-11(3)6-13/h10-11,14H,4-9H2,1-3H3.
What are the key properties of (3-ethyl-8,10-dimethyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol?
(3-ethyl-8,10-dimethyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol has a molecular weight of 260.40 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-8,10-dimethyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol is sourced from PubChem (CID 20734140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).