(8S,8aR)-4-butyl-8-methyl-2,6,8,8a-tetrahydropyrano[3,4-b]pyran

C13H20O2 — CID 11127506

IUPAC(8S,8aR)-4-butyl-8-methyl-2,6,8,8a-tetrahydropyrano[3,4-b]pyran
SMILESCCCCC1=CCO[C@@H]2C1=CCO[C@H]2C
InChIInChI=1S/C13H20O2/c1-3-4-5-11-6-8-15-13-10(2)14-9-7-12(11)13/h6-7,10,13H,3-5,8-9H2,1-2H3/t10-,13-/m0/s1
InChIKeyWWTCZFQHRBLDFK-GWCFXTLKSA-N
MW208.30 g/mol
LogP2.85
Rot. Bonds3

About (8S,8aR)-4-butyl-8-methyl-2,6,8,8a-tetrahydropyrano[3,4-b]pyran

(8S,8aR)-4-butyl-8-methyl-2,6,8,8a-tetrahydropyrano[3,4-b]pyran (PubChem CID 11127506) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (8S,8aR)-4-butyl-8-methyl-2,6,8,8a-tetrahydropyrano[3,4-b]pyran.

Molecular Properties

Compound Name(8S,8aR)-4-butyl-8-methyl-2,6,8,8a-tetrahydropyrano[3,4-b]pyran
PubChem CID11127506
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(8S,8aR)-4-butyl-8-methyl-2,6,8,8a-tetrahydropyrano[3,4-b]pyran
SMILESCCCCC1=CCO[C@@H]2C1=CCO[C@H]2C
InChIInChI=1S/C13H20O2/c1-3-4-5-11-6-8-15-13-10(2)14-9-7-12(11)13/h6-7,10,13H,3-5,8-9H2,1-2H3/t10-,13-/m0/s1
InChIKeyWWTCZFQHRBLDFK-GWCFXTLKSA-N
XLogP2.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

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(3R,6S,8S)-6-(cyclohexen-1-ylmethyl)-8-methyl-1,7-dioxaspiro[2.5]oct-4-ene
CID 44356286
1,4-Difluoro-2-[2-(4-methylcyclohex-3-en-1-yl)oxyethoxymethyl]cyclohexene
CID 69626908
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(2S,8aR)-6-fluoro-2-(oxiran-2-yl)-3,4,8,8a-tetrahydro-2H-chromene
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CID 123196114
[(E)-2,3,6,7,8,8a-hexahydrochromen-4-ylidenemethyl]-trimethylsilane
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(4E)-4-(2-methylprop-2-enylidene)-2,3,6,7,8,8a-hexahydrochromene
CID 12140279
(4E)-4-propylidene-2,3,6,7,8,8a-hexahydrochromene
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Frequently Asked Questions

What is the IUPAC name of (8S,8aR)-4-butyl-8-methyl-2,6,8,8a-tetrahydropyrano[3,4-b]pyran?
The IUPAC name of (8S,8aR)-4-butyl-8-methyl-2,6,8,8a-tetrahydropyrano[3,4-b]pyran (CID 11127506) is (8S,8aR)-4-butyl-8-methyl-2,6,8,8a-tetrahydropyrano[3,4-b]pyran.
What is the SMILES notation for (8S,8aR)-4-butyl-8-methyl-2,6,8,8a-tetrahydropyrano[3,4-b]pyran?
The canonical SMILES for (8S,8aR)-4-butyl-8-methyl-2,6,8,8a-tetrahydropyrano[3,4-b]pyran is CCCCC1=CCO[C@@H]2C1=CCO[C@H]2C.
What is the InChIKey of (8S,8aR)-4-butyl-8-methyl-2,6,8,8a-tetrahydropyrano[3,4-b]pyran?
The InChIKey is WWTCZFQHRBLDFK-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-4-5-11-6-8-15-13-10(2)14-9-7-12(11)13/h6-7,10,13H,3-5,8-9H2,1-2H3/t10-,13-/m0/s1.
What are the key properties of (8S,8aR)-4-butyl-8-methyl-2,6,8,8a-tetrahydropyrano[3,4-b]pyran?
(8S,8aR)-4-butyl-8-methyl-2,6,8,8a-tetrahydropyrano[3,4-b]pyran has a molecular weight of 208.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,8aR)-4-butyl-8-methyl-2,6,8,8a-tetrahydropyrano[3,4-b]pyran is sourced from PubChem (CID 11127506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).