(2S,6R,8R,11S)-2-cyclohexyl-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one

C19H32O3 — CID 11055953

IUPAC(2S,6R,8R,11S)-2-cyclohexyl-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@]12OC(=O)C[C@@H](C1CCCCC1)O2
InChIInChI=1S/C19H32O3/c1-13(2)16-10-9-14(3)12-19(16)21-17(11-18(20)22-19)15-7-5-4-6-8-15/h13-17H,4-12H2,1-3H3/t14-,16+,17+,19-/m1/s1
InChIKeyMEMATZJUTLCICS-QSOKESPWSA-N
MW308.46 g/mol
LogP4.69
Rot. Bonds2

About (2S,6R,8R,11S)-2-cyclohexyl-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one

(2S,6R,8R,11S)-2-cyclohexyl-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one (PubChem CID 11055953) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is (2S,6R,8R,11S)-2-cyclohexyl-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one.

Molecular Properties

Compound Name(2S,6R,8R,11S)-2-cyclohexyl-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one
PubChem CID11055953
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name(2S,6R,8R,11S)-2-cyclohexyl-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@]12OC(=O)C[C@@H](C1CCCCC1)O2
InChIInChI=1S/C19H32O3/c1-13(2)16-10-9-14(3)12-19(16)21-17(11-18(20)22-19)15-7-5-4-6-8-15/h13-17H,4-12H2,1-3H3/t14-,16+,17+,19-/m1/s1
InChIKeyMEMATZJUTLCICS-QSOKESPWSA-N
XLogP4.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6R,8R,11S)-2-cyclohexyl-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one?
The IUPAC name of (2S,6R,8R,11S)-2-cyclohexyl-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one (CID 11055953) is (2S,6R,8R,11S)-2-cyclohexyl-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one.
What is the SMILES notation for (2S,6R,8R,11S)-2-cyclohexyl-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one?
The canonical SMILES for (2S,6R,8R,11S)-2-cyclohexyl-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one is CC(C)[C@@H]1CC[C@@H](C)C[C@@]12OC(=O)C[C@@H](C1CCCCC1)O2.
What is the InChIKey of (2S,6R,8R,11S)-2-cyclohexyl-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one?
The InChIKey is MEMATZJUTLCICS-QSOKESPWSA-N. The full InChI is InChI=1S/C19H32O3/c1-13(2)16-10-9-14(3)12-19(16)21-17(11-18(20)22-19)15-7-5-4-6-8-15/h13-17H,4-12H2,1-3H3/t14-,16+,17+,19-/m1/s1.
What are the key properties of (2S,6R,8R,11S)-2-cyclohexyl-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one?
(2S,6R,8R,11S)-2-cyclohexyl-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one has a molecular weight of 308.46 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R,8R,11S)-2-cyclohexyl-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one is sourced from PubChem (CID 11055953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).