(4aR,4bS,9aR)-4a,4b,8,8-tetramethyl-5,6,7,9a-tetrahydro-4H-indeno[2,1-d][1,3]dioxine

C15H24O2 — CID 58663909

IUPAC(4aR,4bS,9aR)-4a,4b,8,8-tetramethyl-5,6,7,9a-tetrahydro-4H-indeno[2,1-d][1,3]dioxine
SMILESCC1(C)CCC[C@@]2(C)C1=C[C@H]1OCOC[C@]12C
InChIInChI=1S/C15H24O2/c1-13(2)6-5-7-14(3)11(13)8-12-15(14,4)9-16-10-17-12/h8,12H,5-7,9-10H2,1-4H3/t12-,14+,15-/m1/s1
InChIKeyYDTBZXDRRSGEPY-VHDGCEQUSA-N
MW236.35 g/mol
LogP3.52
Rot. Bonds

About (4aR,4bS,9aR)-4a,4b,8,8-tetramethyl-5,6,7,9a-tetrahydro-4H-indeno[2,1-d][1,3]dioxine

(4aR,4bS,9aR)-4a,4b,8,8-tetramethyl-5,6,7,9a-tetrahydro-4H-indeno[2,1-d][1,3]dioxine (PubChem CID 58663909) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (4aR,4bS,9aR)-4a,4b,8,8-tetramethyl-5,6,7,9a-tetrahydro-4H-indeno[2,1-d][1,3]dioxine.

Molecular Properties

Compound Name(4aR,4bS,9aR)-4a,4b,8,8-tetramethyl-5,6,7,9a-tetrahydro-4H-indeno[2,1-d][1,3]dioxine
PubChem CID58663909
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(4aR,4bS,9aR)-4a,4b,8,8-tetramethyl-5,6,7,9a-tetrahydro-4H-indeno[2,1-d][1,3]dioxine
SMILESCC1(C)CCC[C@@]2(C)C1=C[C@H]1OCOC[C@]12C
InChIInChI=1S/C15H24O2/c1-13(2)6-5-7-14(3)11(13)8-12-15(14,4)9-16-10-17-12/h8,12H,5-7,9-10H2,1-4H3/t12-,14+,15-/m1/s1
InChIKeyYDTBZXDRRSGEPY-VHDGCEQUSA-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 (4aR,4bS,9aR)-4a,4b,8,8-tetramethyl-5,6,7,9a-tetrahydro-4H-indeno[2,1-d][1,3]dioxine?
The IUPAC name of (4aR,4bS,9aR)-4a,4b,8,8-tetramethyl-5,6,7,9a-tetrahydro-4H-indeno[2,1-d][1,3]dioxine (CID 58663909) is (4aR,4bS,9aR)-4a,4b,8,8-tetramethyl-5,6,7,9a-tetrahydro-4H-indeno[2,1-d][1,3]dioxine.
What is the SMILES notation for (4aR,4bS,9aR)-4a,4b,8,8-tetramethyl-5,6,7,9a-tetrahydro-4H-indeno[2,1-d][1,3]dioxine?
The canonical SMILES for (4aR,4bS,9aR)-4a,4b,8,8-tetramethyl-5,6,7,9a-tetrahydro-4H-indeno[2,1-d][1,3]dioxine is CC1(C)CCC[C@@]2(C)C1=C[C@H]1OCOC[C@]12C.
What is the InChIKey of (4aR,4bS,9aR)-4a,4b,8,8-tetramethyl-5,6,7,9a-tetrahydro-4H-indeno[2,1-d][1,3]dioxine?
The InChIKey is YDTBZXDRRSGEPY-VHDGCEQUSA-N. The full InChI is InChI=1S/C15H24O2/c1-13(2)6-5-7-14(3)11(13)8-12-15(14,4)9-16-10-17-12/h8,12H,5-7,9-10H2,1-4H3/t12-,14+,15-/m1/s1.
What are the key properties of (4aR,4bS,9aR)-4a,4b,8,8-tetramethyl-5,6,7,9a-tetrahydro-4H-indeno[2,1-d][1,3]dioxine?
(4aR,4bS,9aR)-4a,4b,8,8-tetramethyl-5,6,7,9a-tetrahydro-4H-indeno[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 (4aR,4bS,9aR)-4a,4b,8,8-tetramethyl-5,6,7,9a-tetrahydro-4H-indeno[2,1-d][1,3]dioxine is sourced from PubChem (CID 58663909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).