(4'aS,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydronaphthalene]-1'-one

C16H24O3 — CID 166444758

IUPAC(4'aS,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydronaphthalene]-1'-one
SMILESCC1=CC[C@H]2C(C)(C)C3(CC[C@]2(C)C1=O)OCCO3
InChIInChI=1S/C16H24O3/c1-11-5-6-12-14(2,3)16(18-9-10-19-16)8-7-15(12,4)13(11)17/h5,12H,6-10H2,1-4H3/t12-,15-/m0/s1
InChIKeyFEKMAOGIVXBXCL-WFASDCNBSA-N
MW264.36 g/mol
LogP3.09
Rot. Bonds

About (4'aS,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydronaphthalene]-1'-one

(4'aS,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydronaphthalene]-1'-one (PubChem CID 166444758) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is (4'aS,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydronaphthalene]-1'-one.

Molecular Properties

Compound Name(4'aS,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydronaphthalene]-1'-one
PubChem CID166444758
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name(4'aS,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydronaphthalene]-1'-one
SMILESCC1=CC[C@H]2C(C)(C)C3(CC[C@]2(C)C1=O)OCCO3
InChIInChI=1S/C16H24O3/c1-11-5-6-12-14(2,3)16(18-9-10-19-16)8-7-15(12,4)13(11)17/h5,12H,6-10H2,1-4H3/t12-,15-/m0/s1
InChIKeyFEKMAOGIVXBXCL-WFASDCNBSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4'aS,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydronaphthalene]-1'-one?
The IUPAC name of (4'aS,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydronaphthalene]-1'-one (CID 166444758) is (4'aS,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydronaphthalene]-1'-one.
What is the SMILES notation for (4'aS,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydronaphthalene]-1'-one?
The canonical SMILES for (4'aS,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydronaphthalene]-1'-one is CC1=CC[C@H]2C(C)(C)C3(CC[C@]2(C)C1=O)OCCO3.
What is the InChIKey of (4'aS,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydronaphthalene]-1'-one?
The InChIKey is FEKMAOGIVXBXCL-WFASDCNBSA-N. The full InChI is InChI=1S/C16H24O3/c1-11-5-6-12-14(2,3)16(18-9-10-19-16)8-7-15(12,4)13(11)17/h5,12H,6-10H2,1-4H3/t12-,15-/m0/s1.
What are the key properties of (4'aS,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydronaphthalene]-1'-one?
(4'aS,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydronaphthalene]-1'-one has a molecular weight of 264.36 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4'aS,8'aS)-2',5',5',8'a-tetramethylspiro[1,3-dioxolane-2,6'-4,4a,7,8-tetrahydronaphthalene]-1'-one is sourced from PubChem (CID 166444758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).