(4R)-4,4b,8,8-tetramethyl-4,4a,5,6,7,9a-hexahydroindeno[2,1-d][1,3]dioxine

C15H24O2 — CID 69121525

IUPAC(4R)-4,4b,8,8-tetramethyl-4,4a,5,6,7,9a-hexahydroindeno[2,1-d][1,3]dioxine
SMILESCC1OCOC2C=C3C(C)(C)CCCC3(C)C12
InChIInChI=1S/C15H24O2/c1-10-13-11(17-9-16-10)8-12-14(2,3)6-5-7-15(12,13)4/h8,10-11,13H,5-7,9H2,1-4H3
InChIKeyRIQSLKUONPHRTA-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.52
Rot. Bonds

About (4R)-4,4b,8,8-tetramethyl-4,4a,5,6,7,9a-hexahydroindeno[2,1-d][1,3]dioxine

(4R)-4,4b,8,8-tetramethyl-4,4a,5,6,7,9a-hexahydroindeno[2,1-d][1,3]dioxine (PubChem CID 69121525) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (4R)-4,4b,8,8-tetramethyl-4,4a,5,6,7,9a-hexahydroindeno[2,1-d][1,3]dioxine.

Molecular Properties

Compound Name(4R)-4,4b,8,8-tetramethyl-4,4a,5,6,7,9a-hexahydroindeno[2,1-d][1,3]dioxine
PubChem CID69121525
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(4R)-4,4b,8,8-tetramethyl-4,4a,5,6,7,9a-hexahydroindeno[2,1-d][1,3]dioxine
SMILESCC1OCOC2C=C3C(C)(C)CCCC3(C)C12
InChIInChI=1S/C15H24O2/c1-10-13-11(17-9-16-10)8-12-14(2,3)6-5-7-15(12,13)4/h8,10-11,13H,5-7,9H2,1-4H3
InChIKeyRIQSLKUONPHRTA-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.52
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 (4R)-4,4b,8,8-tetramethyl-4,4a,5,6,7,9a-hexahydroindeno[2,1-d][1,3]dioxine?
The IUPAC name of (4R)-4,4b,8,8-tetramethyl-4,4a,5,6,7,9a-hexahydroindeno[2,1-d][1,3]dioxine (CID 69121525) is (4R)-4,4b,8,8-tetramethyl-4,4a,5,6,7,9a-hexahydroindeno[2,1-d][1,3]dioxine.
What is the SMILES notation for (4R)-4,4b,8,8-tetramethyl-4,4a,5,6,7,9a-hexahydroindeno[2,1-d][1,3]dioxine?
The canonical SMILES for (4R)-4,4b,8,8-tetramethyl-4,4a,5,6,7,9a-hexahydroindeno[2,1-d][1,3]dioxine is CC1OCOC2C=C3C(C)(C)CCCC3(C)C12.
What is the InChIKey of (4R)-4,4b,8,8-tetramethyl-4,4a,5,6,7,9a-hexahydroindeno[2,1-d][1,3]dioxine?
The InChIKey is RIQSLKUONPHRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-10-13-11(17-9-16-10)8-12-14(2,3)6-5-7-15(12,13)4/h8,10-11,13H,5-7,9H2,1-4H3.
What are the key properties of (4R)-4,4b,8,8-tetramethyl-4,4a,5,6,7,9a-hexahydroindeno[2,1-d][1,3]dioxine?
(4R)-4,4b,8,8-tetramethyl-4,4a,5,6,7,9a-hexahydroindeno[2,1-d][1,3]dioxine has a molecular weight of 236.35 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4,4b,8,8-tetramethyl-4,4a,5,6,7,9a-hexahydroindeno[2,1-d][1,3]dioxine is sourced from PubChem (CID 69121525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).