(8'aR)-5,5,8'a-trimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-1,5,6,8-tetrahydroazulene]

C19H30O2 — CID 135067358

IUPAC(8'aR)-5,5,8'a-trimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-1,5,6,8-tetrahydroazulene]
SMILESCC(C)C1=CC[C@]2(C)CC3(CCC=C12)OCC(C)(C)CO3
InChIInChI=1S/C19H30O2/c1-14(2)15-8-10-18(5)11-19(9-6-7-16(15)18)20-12-17(3,4)13-21-19/h7-8,14H,6,9-13H2,1-5H3/t18-/m1/s1
InChIKeyXCWLLKMJIUOAHE-GOSISDBHSA-N
MW290.45 g/mol
LogP4.86
Rot. Bonds1

About (8'aR)-5,5,8'a-trimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-1,5,6,8-tetrahydroazulene]

(8'aR)-5,5,8'a-trimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-1,5,6,8-tetrahydroazulene] (PubChem CID 135067358) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is (8'aR)-5,5,8'a-trimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-1,5,6,8-tetrahydroazulene].

Molecular Properties

Compound Name(8'aR)-5,5,8'a-trimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-1,5,6,8-tetrahydroazulene]
PubChem CID135067358
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name(8'aR)-5,5,8'a-trimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-1,5,6,8-tetrahydroazulene]
SMILESCC(C)C1=CC[C@]2(C)CC3(CCC=C12)OCC(C)(C)CO3
InChIInChI=1S/C19H30O2/c1-14(2)15-8-10-18(5)11-19(9-6-7-16(15)18)20-12-17(3,4)13-21-19/h7-8,14H,6,9-13H2,1-5H3/t18-/m1/s1
InChIKeyXCWLLKMJIUOAHE-GOSISDBHSA-N
XLogP4.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8'aR)-5,5,8'a-trimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-1,5,6,8-tetrahydroazulene]?
The IUPAC name of (8'aR)-5,5,8'a-trimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-1,5,6,8-tetrahydroazulene] (CID 135067358) is (8'aR)-5,5,8'a-trimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-1,5,6,8-tetrahydroazulene].
What is the SMILES notation for (8'aR)-5,5,8'a-trimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-1,5,6,8-tetrahydroazulene]?
The canonical SMILES for (8'aR)-5,5,8'a-trimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-1,5,6,8-tetrahydroazulene] is CC(C)C1=CC[C@]2(C)CC3(CCC=C12)OCC(C)(C)CO3.
What is the InChIKey of (8'aR)-5,5,8'a-trimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-1,5,6,8-tetrahydroazulene]?
The InChIKey is XCWLLKMJIUOAHE-GOSISDBHSA-N. The full InChI is InChI=1S/C19H30O2/c1-14(2)15-8-10-18(5)11-19(9-6-7-16(15)18)20-12-17(3,4)13-21-19/h7-8,14H,6,9-13H2,1-5H3/t18-/m1/s1.
What are the key properties of (8'aR)-5,5,8'a-trimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-1,5,6,8-tetrahydroazulene]?
(8'aR)-5,5,8'a-trimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-1,5,6,8-tetrahydroazulene] has a molecular weight of 290.45 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8'aR)-5,5,8'a-trimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-1,5,6,8-tetrahydroazulene] is sourced from PubChem (CID 135067358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).