(5S,6R,8S,9R,10S,11S)-10-hydroxy-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undec-2-en-4-one

C19H32O4 — CID 11659846

IUPAC(5S,6R,8S,9R,10S,11S)-10-hydroxy-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undec-2-en-4-one
SMILESCC1=C(C(C)C)O[C@@]2(O[C@@H](C(C)C)[C@H](C)[C@H](O)[C@@H]2C)[C@@H](C)C1=O
InChIInChI=1S/C19H32O4/c1-9(2)17-11(5)15(20)13(7)19(22-17)14(8)16(21)12(6)18(23-19)10(3)4/h9-11,13-15,17,20H,1-8H3/t11-,13+,14+,15+,17+,19-/m1/s1
InChIKeyGZYSVJWVDQFFCX-KYIXRIMPSA-N
MW324.46 g/mol
LogP3.54
Rot. Bonds2

About (5S,6R,8S,9R,10S,11S)-10-hydroxy-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undec-2-en-4-one

(5S,6R,8S,9R,10S,11S)-10-hydroxy-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undec-2-en-4-one (PubChem CID 11659846) has the molecular formula C19H32O4 and a molecular weight of 324.46 g/mol. Its IUPAC name is (5S,6R,8S,9R,10S,11S)-10-hydroxy-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undec-2-en-4-one.

Molecular Properties

Compound Name(5S,6R,8S,9R,10S,11S)-10-hydroxy-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undec-2-en-4-one
PubChem CID11659846
Molecular FormulaC19H32O4
Molecular Weight324.46 g/mol
Exact Mass324.23
IUPAC Name(5S,6R,8S,9R,10S,11S)-10-hydroxy-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undec-2-en-4-one
SMILESCC1=C(C(C)C)O[C@@]2(O[C@@H](C(C)C)[C@H](C)[C@H](O)[C@@H]2C)[C@@H](C)C1=O
InChIInChI=1S/C19H32O4/c1-9(2)17-11(5)15(20)13(7)19(22-17)14(8)16(21)12(6)18(23-19)10(3)4/h9-11,13-15,17,20H,1-8H3/t11-,13+,14+,15+,17+,19-/m1/s1
InChIKeyGZYSVJWVDQFFCX-KYIXRIMPSA-N
XLogP3.54
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S,6R,8S,9R,10S,11S)-10-hydroxy-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undec-2-en-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S,6R,8S,9R,10S,11S)-10-hydroxy-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undec-2-en-4-one?
The IUPAC name of (5S,6R,8S,9R,10S,11S)-10-hydroxy-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undec-2-en-4-one (CID 11659846) is (5S,6R,8S,9R,10S,11S)-10-hydroxy-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undec-2-en-4-one.
What is the SMILES notation for (5S,6R,8S,9R,10S,11S)-10-hydroxy-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undec-2-en-4-one?
The canonical SMILES for (5S,6R,8S,9R,10S,11S)-10-hydroxy-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undec-2-en-4-one is CC1=C(C(C)C)O[C@@]2(O[C@@H](C(C)C)[C@H](C)[C@H](O)[C@@H]2C)[C@@H](C)C1=O.
What is the InChIKey of (5S,6R,8S,9R,10S,11S)-10-hydroxy-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undec-2-en-4-one?
The InChIKey is GZYSVJWVDQFFCX-KYIXRIMPSA-N. The full InChI is InChI=1S/C19H32O4/c1-9(2)17-11(5)15(20)13(7)19(22-17)14(8)16(21)12(6)18(23-19)10(3)4/h9-11,13-15,17,20H,1-8H3/t11-,13+,14+,15+,17+,19-/m1/s1.
What are the key properties of (5S,6R,8S,9R,10S,11S)-10-hydroxy-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undec-2-en-4-one?
(5S,6R,8S,9R,10S,11S)-10-hydroxy-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undec-2-en-4-one has a molecular weight of 324.46 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R,8S,9R,10S,11S)-10-hydroxy-3,5,9,11-tetramethyl-2,8-di(propan-2-yl)-1,7-dioxaspiro[5.5]undec-2-en-4-one is sourced from PubChem (CID 11659846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).