(2S,6S,8R,11S)-2-(1,3-dioxolan-2-yl)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one

C16H26O5 — CID 23244058

IUPAC(2S,6S,8R,11S)-2-(1,3-dioxolan-2-yl)-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](C1OCCO1)O2
InChIInChI=1S/C16H26O5/c1-10(2)12-5-4-11(3)9-16(12)20-13(8-14(17)21-16)15-18-6-7-19-15/h10-13,15H,4-9H2,1-3H3/t11-,12+,13+,16+/m1/s1
InChIKeyKUCUNEIHRPUTFR-DVZHBHJUSA-N
MW298.38 g/mol
LogP2.48
Rot. Bonds2

About (2S,6S,8R,11S)-2-(1,3-dioxolan-2-yl)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one

(2S,6S,8R,11S)-2-(1,3-dioxolan-2-yl)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one (PubChem CID 23244058) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is (2S,6S,8R,11S)-2-(1,3-dioxolan-2-yl)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one.

Molecular Properties

Compound Name(2S,6S,8R,11S)-2-(1,3-dioxolan-2-yl)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one
PubChem CID23244058
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Name(2S,6S,8R,11S)-2-(1,3-dioxolan-2-yl)-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](C1OCCO1)O2
InChIInChI=1S/C16H26O5/c1-10(2)12-5-4-11(3)9-16(12)20-13(8-14(17)21-16)15-18-6-7-19-15/h10-13,15H,4-9H2,1-3H3/t11-,12+,13+,16+/m1/s1
InChIKeyKUCUNEIHRPUTFR-DVZHBHJUSA-N
XLogP2.48
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S,6S,8R,11S)-2-(1,3-dioxolan-2-yl)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one with MolForge

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Launch Full Analysis

Related Compounds

(5R)-5-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one
CID 10966635
(4S,6R,8R,11S)-4-(1,3-dioxolan-2-yl)-4,8-dimethyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-2-one
CID 21591026
(3R,4S,5S)-3,4-dihydroxy-5-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one
CID 134878872
(3aR,6S,6aS)-2,2-dimethyl-6-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 134938161
6-Isopropyl-9-methyl-1,4-dioxa-spiro[4.5]decane-2,3-dicarboxylic acid, dimethyl ester
CID 615335
ethyl (7R,8S)-8-(oxan-2-yloxy)-1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 14108196
(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 58455265
(5-Methyl-2-propan-2-ylcyclohexyl) 2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 67434133
[(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 143971669
(4R,6R,8R,11R)-4,11-dimethyl-4-[(2R)-oxolan-2-yl]-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-2-one
CID 10495177
(2S,6S,8R,11R)-2-(2-hydroxypropan-2-yl)-11-methyl-8-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one
CID 10541062
(4R,5R,7S,8S,11R)-4-(1,3-dioxolan-2-ylmethyl)-11-methyl-8-propan-2-yl-6,13-dioxadispiro[4.1.57.35]pentadecan-14-one
CID 10570942

Frequently Asked Questions

What is the IUPAC name of (2S,6S,8R,11S)-2-(1,3-dioxolan-2-yl)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one?
The IUPAC name of (2S,6S,8R,11S)-2-(1,3-dioxolan-2-yl)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one (CID 23244058) is (2S,6S,8R,11S)-2-(1,3-dioxolan-2-yl)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one.
What is the SMILES notation for (2S,6S,8R,11S)-2-(1,3-dioxolan-2-yl)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one?
The canonical SMILES for (2S,6S,8R,11S)-2-(1,3-dioxolan-2-yl)-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](C1OCCO1)O2.
What is the InChIKey of (2S,6S,8R,11S)-2-(1,3-dioxolan-2-yl)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one?
The InChIKey is KUCUNEIHRPUTFR-DVZHBHJUSA-N. The full InChI is InChI=1S/C16H26O5/c1-10(2)12-5-4-11(3)9-16(12)20-13(8-14(17)21-16)15-18-6-7-19-15/h10-13,15H,4-9H2,1-3H3/t11-,12+,13+,16+/m1/s1.
What are the key properties of (2S,6S,8R,11S)-2-(1,3-dioxolan-2-yl)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one?
(2S,6S,8R,11S)-2-(1,3-dioxolan-2-yl)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one has a molecular weight of 298.38 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S,8R,11S)-2-(1,3-dioxolan-2-yl)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-one is sourced from PubChem (CID 23244058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).