(2S,3R,6S)-3-methyl-2-pentan-3-yl-1,7-dioxaspiro[5.5]undecane

C15H28O2 — CID 10999136

IUPAC(2S,3R,6S)-3-methyl-2-pentan-3-yl-1,7-dioxaspiro[5.5]undecane
SMILESCCC(CC)[C@H]1O[C@@]2(CCCCO2)CC[C@H]1C
InChIInChI=1S/C15H28O2/c1-4-13(5-2)14-12(3)8-10-15(17-14)9-6-7-11-16-15/h12-14H,4-11H2,1-3H3/t12-,14+,15+/m1/s1
InChIKeyDTLNKMXHMWZILG-SNPRPXQTSA-N
MW240.39 g/mol
LogP4.13
Rot. Bonds3

About (2S,3R,6S)-3-methyl-2-pentan-3-yl-1,7-dioxaspiro[5.5]undecane

(2S,3R,6S)-3-methyl-2-pentan-3-yl-1,7-dioxaspiro[5.5]undecane (PubChem CID 10999136) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (2S,3R,6S)-3-methyl-2-pentan-3-yl-1,7-dioxaspiro[5.5]undecane.

Molecular Properties

Compound Name(2S,3R,6S)-3-methyl-2-pentan-3-yl-1,7-dioxaspiro[5.5]undecane
PubChem CID10999136
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(2S,3R,6S)-3-methyl-2-pentan-3-yl-1,7-dioxaspiro[5.5]undecane
SMILESCCC(CC)[C@H]1O[C@@]2(CCCCO2)CC[C@H]1C
InChIInChI=1S/C15H28O2/c1-4-13(5-2)14-12(3)8-10-15(17-14)9-6-7-11-16-15/h12-14H,4-11H2,1-3H3/t12-,14+,15+/m1/s1
InChIKeyDTLNKMXHMWZILG-SNPRPXQTSA-N
XLogP4.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-1,7-dioxaspiro[5.5]undecane
CID 12705588
2-Ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane
CID 14271012
8-Methyl-2-propyl-1,7-dioxaspiro[5.5]undecane
CID 14271034
(3R,4S,6R,9R)-9-Ethyl-4-hydroxy-1,7-dioxaspiro(5.5)undecane-3-methanol
CID 158564
Talaromycin B
CID 158569
9-Ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
CID 13778220
Spirodiol
CID 21574040
(3R,4R,6R,9R)-9-Ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
CID 13778222
(5R,6S)-5-methyl-1,7-dioxaspiro[5.5]undecane
CID 11062843
(2S,3S,6R,11R)-3,11-dimethyl-2-(oxan-2-yloxymethyl)-1,7-dioxaspiro[5.5]undecane
CID 12041355
(6S)-3-methyl-1,7-dioxaspiro[5.5]undecane
CID 44303200
(2S,3S,6R,11R)-2-(methoxymethoxymethyl)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecane
CID 44303223

Frequently Asked Questions

What is the IUPAC name of (2S,3R,6S)-3-methyl-2-pentan-3-yl-1,7-dioxaspiro[5.5]undecane?
The IUPAC name of (2S,3R,6S)-3-methyl-2-pentan-3-yl-1,7-dioxaspiro[5.5]undecane (CID 10999136) is (2S,3R,6S)-3-methyl-2-pentan-3-yl-1,7-dioxaspiro[5.5]undecane.
What is the SMILES notation for (2S,3R,6S)-3-methyl-2-pentan-3-yl-1,7-dioxaspiro[5.5]undecane?
The canonical SMILES for (2S,3R,6S)-3-methyl-2-pentan-3-yl-1,7-dioxaspiro[5.5]undecane is CCC(CC)[C@H]1O[C@@]2(CCCCO2)CC[C@H]1C.
What is the InChIKey of (2S,3R,6S)-3-methyl-2-pentan-3-yl-1,7-dioxaspiro[5.5]undecane?
The InChIKey is DTLNKMXHMWZILG-SNPRPXQTSA-N. The full InChI is InChI=1S/C15H28O2/c1-4-13(5-2)14-12(3)8-10-15(17-14)9-6-7-11-16-15/h12-14H,4-11H2,1-3H3/t12-,14+,15+/m1/s1.
What are the key properties of (2S,3R,6S)-3-methyl-2-pentan-3-yl-1,7-dioxaspiro[5.5]undecane?
(2S,3R,6S)-3-methyl-2-pentan-3-yl-1,7-dioxaspiro[5.5]undecane has a molecular weight of 240.39 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6S)-3-methyl-2-pentan-3-yl-1,7-dioxaspiro[5.5]undecane is sourced from PubChem (CID 10999136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).