(8R,11S)-3-ethyl-3,8-dimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undecane

C16H30O2 — CID 168973950

IUPAC(8R,11S)-3-ethyl-3,8-dimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undecane
SMILESCCC1(C)OCC2(CO1)C[C@H](C)CC[C@H]2C(C)C
InChIInChI=1S/C16H30O2/c1-6-15(5)17-10-16(11-18-15)9-13(4)7-8-14(16)12(2)3/h12-14H,6-11H2,1-5H3/t13-,14+,15?,16?/m1/s1
InChIKeyDCFNGXYQIBUTLT-QVOMUQBLSA-N
MW254.41 g/mol
LogP4.24
Rot. Bonds2

About (8R,11S)-3-ethyl-3,8-dimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undecane

(8R,11S)-3-ethyl-3,8-dimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undecane (PubChem CID 168973950) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is (8R,11S)-3-ethyl-3,8-dimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name(8R,11S)-3-ethyl-3,8-dimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undecane
PubChem CID168973950
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name(8R,11S)-3-ethyl-3,8-dimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undecane
SMILESCCC1(C)OCC2(CO1)C[C@H](C)CC[C@H]2C(C)C
InChIInChI=1S/C16H30O2/c1-6-15(5)17-10-16(11-18-15)9-13(4)7-8-14(16)12(2)3/h12-14H,6-11H2,1-5H3/t13-,14+,15?,16?/m1/s1
InChIKeyDCFNGXYQIBUTLT-QVOMUQBLSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (8R,11S)-3-ethyl-3,8-dimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undecane with MolForge

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Related Compounds

(8R,11S)-8-methyl-3,11-di(propan-2-yl)-2,4-dioxaspiro[5.5]undecane
CID 168973924
7-methyl-4-propan-2-yl-1,2-dioxaspiro[2.5]octane
CID 15728160
ethane;1-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexane
CID 171106643
N-[(1S,2R,5S)-1-ethyl-5-methyl-2-propan-2-ylcyclohexyl]formamide
CID 141209786
1-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 79907464
1-ethoxy-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile
CID 66072752
(4S,7R)-7-methyl-4-propan-2-yl-1,2-diazaspiro[2.5]oct-1-ene
CID 45096322
1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 19844421
[1-(butan-2-ylamino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 61048406
1-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]ethanone
CID 142684025
1-ethyl-1-methyl-2-propan-2-ylcyclopropane
CID 91445155
2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.5]decan-4-one
CID 574556

Frequently Asked Questions

What is the IUPAC name of (8R,11S)-3-ethyl-3,8-dimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undecane?
The IUPAC name of (8R,11S)-3-ethyl-3,8-dimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undecane (CID 168973950) is (8R,11S)-3-ethyl-3,8-dimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undecane.
What is the SMILES notation for (8R,11S)-3-ethyl-3,8-dimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undecane?
The canonical SMILES for (8R,11S)-3-ethyl-3,8-dimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undecane is CCC1(C)OCC2(CO1)C[C@H](C)CC[C@H]2C(C)C.
What is the InChIKey of (8R,11S)-3-ethyl-3,8-dimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undecane?
The InChIKey is DCFNGXYQIBUTLT-QVOMUQBLSA-N. The full InChI is InChI=1S/C16H30O2/c1-6-15(5)17-10-16(11-18-15)9-13(4)7-8-14(16)12(2)3/h12-14H,6-11H2,1-5H3/t13-,14+,15?,16?/m1/s1.
What are the key properties of (8R,11S)-3-ethyl-3,8-dimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undecane?
(8R,11S)-3-ethyl-3,8-dimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undecane has a molecular weight of 254.41 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,11S)-3-ethyl-3,8-dimethyl-11-propan-2-yl-2,4-dioxaspiro[5.5]undecane is sourced from PubChem (CID 168973950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).