(6S)-2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one

C14H22O3 — CID 57346442

IUPAC(6S)-2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one
SMILESCC1=CC(=O)O[C@]2(CC(C)CCC2C(C)C)O1
InChIInChI=1S/C14H22O3/c1-9(2)12-6-5-10(3)8-14(12)16-11(4)7-13(15)17-14/h7,9-10,12H,5-6,8H2,1-4H3/t10?,12?,14-/m0/s1
InChIKeyWEUGLSGCWUMGED-OVGLSYRBSA-N
MW238.33 g/mol
LogP3.25
Rot. Bonds1

About (6S)-2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one

(6S)-2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one (PubChem CID 57346442) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is (6S)-2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one.

Molecular Properties

Compound Name(6S)-2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one
PubChem CID57346442
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name(6S)-2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one
SMILESCC1=CC(=O)O[C@]2(CC(C)CCC2C(C)C)O1
InChIInChI=1S/C14H22O3/c1-9(2)12-6-5-10(3)8-14(12)16-11(4)7-13(15)17-14/h7,9-10,12H,5-6,8H2,1-4H3/t10?,12?,14-/m0/s1
InChIKeyWEUGLSGCWUMGED-OVGLSYRBSA-N
XLogP3.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one?
The IUPAC name of (6S)-2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one (CID 57346442) is (6S)-2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one.
What is the SMILES notation for (6S)-2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one?
The canonical SMILES for (6S)-2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one is CC1=CC(=O)O[C@]2(CC(C)CCC2C(C)C)O1.
What is the InChIKey of (6S)-2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one?
The InChIKey is WEUGLSGCWUMGED-OVGLSYRBSA-N. The full InChI is InChI=1S/C14H22O3/c1-9(2)12-6-5-10(3)8-14(12)16-11(4)7-13(15)17-14/h7,9-10,12H,5-6,8H2,1-4H3/t10?,12?,14-/m0/s1.
What are the key properties of (6S)-2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one?
(6S)-2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one has a molecular weight of 238.33 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one is sourced from PubChem (CID 57346442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).