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

C16H24O2 — CID 11528903

IUPAC(4aS)-3,5,5,8-tetramethylspiro[1,2,4a,7-tetrahydronaphthalene-6,2'-1,3-dioxolane]
SMILESCC1=C[C@H]2C(=C(C)CC3(OCCO3)C2(C)C)CC1
InChIInChI=1S/C16H24O2/c1-11-5-6-13-12(2)10-16(17-7-8-18-16)15(3,4)14(13)9-11/h9,14H,5-8,10H2,1-4H3/t14-/m0/s1
InChIKeyQTMNOVMXUKQJBW-AWEZNQCLSA-N
MW248.37 g/mol
LogP3.83
Rot. Bonds

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

(4aS)-3,5,5,8-tetramethylspiro[1,2,4a,7-tetrahydronaphthalene-6,2'-1,3-dioxolane] (PubChem CID 11528903) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (4aS)-3,5,5,8-tetramethylspiro[1,2,4a,7-tetrahydronaphthalene-6,2'-1,3-dioxolane].

Molecular Properties

Compound Name(4aS)-3,5,5,8-tetramethylspiro[1,2,4a,7-tetrahydronaphthalene-6,2'-1,3-dioxolane]
PubChem CID11528903
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(4aS)-3,5,5,8-tetramethylspiro[1,2,4a,7-tetrahydronaphthalene-6,2'-1,3-dioxolane]
SMILESCC1=C[C@H]2C(=C(C)CC3(OCCO3)C2(C)C)CC1
InChIInChI=1S/C16H24O2/c1-11-5-6-13-12(2)10-16(17-7-8-18-16)15(3,4)14(13)9-11/h9,14H,5-8,10H2,1-4H3/t14-/m0/s1
InChIKeyQTMNOVMXUKQJBW-AWEZNQCLSA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4aS)-3,5,5,8-tetramethylspiro[1,2,4a,7-tetrahydronaphthalene-6,2'-1,3-dioxolane]?
The IUPAC name of (4aS)-3,5,5,8-tetramethylspiro[1,2,4a,7-tetrahydronaphthalene-6,2'-1,3-dioxolane] (CID 11528903) is (4aS)-3,5,5,8-tetramethylspiro[1,2,4a,7-tetrahydronaphthalene-6,2'-1,3-dioxolane].
What is the SMILES notation for (4aS)-3,5,5,8-tetramethylspiro[1,2,4a,7-tetrahydronaphthalene-6,2'-1,3-dioxolane]?
The canonical SMILES for (4aS)-3,5,5,8-tetramethylspiro[1,2,4a,7-tetrahydronaphthalene-6,2'-1,3-dioxolane] is CC1=C[C@H]2C(=C(C)CC3(OCCO3)C2(C)C)CC1.
What is the InChIKey of (4aS)-3,5,5,8-tetramethylspiro[1,2,4a,7-tetrahydronaphthalene-6,2'-1,3-dioxolane]?
The InChIKey is QTMNOVMXUKQJBW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24O2/c1-11-5-6-13-12(2)10-16(17-7-8-18-16)15(3,4)14(13)9-11/h9,14H,5-8,10H2,1-4H3/t14-/m0/s1.
What are the key properties of (4aS)-3,5,5,8-tetramethylspiro[1,2,4a,7-tetrahydronaphthalene-6,2'-1,3-dioxolane]?
(4aS)-3,5,5,8-tetramethylspiro[1,2,4a,7-tetrahydronaphthalene-6,2'-1,3-dioxolane] has a molecular weight of 248.37 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS)-3,5,5,8-tetramethylspiro[1,2,4a,7-tetrahydronaphthalene-6,2'-1,3-dioxolane] is sourced from PubChem (CID 11528903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).