(4aS,9aS)-4a,8,8-trimethyl-4,6,7,9a-tetrahydroindeno[2,1-d][1,3]dioxine

C14H20O2 — CID 71126056

IUPAC(4aS,9aS)-4a,8,8-trimethyl-4,6,7,9a-tetrahydroindeno[2,1-d][1,3]dioxine
SMILESCC1(C)CCC=C2C1=C[C@@H]1OCOC[C@]21C
InChIInChI=1S/C14H20O2/c1-13(2)6-4-5-10-11(13)7-12-14(10,3)8-15-9-16-12/h5,7,12H,4,6,8-9H2,1-3H3/t12-,14+/m0/s1
InChIKeyYHTFGVVRMMSXFI-GXTWGEPZSA-N
MW220.31 g/mol
LogP3.05
Rot. Bonds

About (4aS,9aS)-4a,8,8-trimethyl-4,6,7,9a-tetrahydroindeno[2,1-d][1,3]dioxine

(4aS,9aS)-4a,8,8-trimethyl-4,6,7,9a-tetrahydroindeno[2,1-d][1,3]dioxine (PubChem CID 71126056) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (4aS,9aS)-4a,8,8-trimethyl-4,6,7,9a-tetrahydroindeno[2,1-d][1,3]dioxine.

Molecular Properties

Compound Name(4aS,9aS)-4a,8,8-trimethyl-4,6,7,9a-tetrahydroindeno[2,1-d][1,3]dioxine
PubChem CID71126056
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(4aS,9aS)-4a,8,8-trimethyl-4,6,7,9a-tetrahydroindeno[2,1-d][1,3]dioxine
SMILESCC1(C)CCC=C2C1=C[C@@H]1OCOC[C@]21C
InChIInChI=1S/C14H20O2/c1-13(2)6-4-5-10-11(13)7-12-14(10,3)8-15-9-16-12/h5,7,12H,4,6,8-9H2,1-3H3/t12-,14+/m0/s1
InChIKeyYHTFGVVRMMSXFI-GXTWGEPZSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aS,9aS)-4a,8,8-trimethyl-4,6,7,9a-tetrahydroindeno[2,1-d][1,3]dioxine?
The IUPAC name of (4aS,9aS)-4a,8,8-trimethyl-4,6,7,9a-tetrahydroindeno[2,1-d][1,3]dioxine (CID 71126056) is (4aS,9aS)-4a,8,8-trimethyl-4,6,7,9a-tetrahydroindeno[2,1-d][1,3]dioxine.
What is the SMILES notation for (4aS,9aS)-4a,8,8-trimethyl-4,6,7,9a-tetrahydroindeno[2,1-d][1,3]dioxine?
The canonical SMILES for (4aS,9aS)-4a,8,8-trimethyl-4,6,7,9a-tetrahydroindeno[2,1-d][1,3]dioxine is CC1(C)CCC=C2C1=C[C@@H]1OCOC[C@]21C.
What is the InChIKey of (4aS,9aS)-4a,8,8-trimethyl-4,6,7,9a-tetrahydroindeno[2,1-d][1,3]dioxine?
The InChIKey is YHTFGVVRMMSXFI-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H20O2/c1-13(2)6-4-5-10-11(13)7-12-14(10,3)8-15-9-16-12/h5,7,12H,4,6,8-9H2,1-3H3/t12-,14+/m0/s1.
What are the key properties of (4aS,9aS)-4a,8,8-trimethyl-4,6,7,9a-tetrahydroindeno[2,1-d][1,3]dioxine?
(4aS,9aS)-4a,8,8-trimethyl-4,6,7,9a-tetrahydroindeno[2,1-d][1,3]dioxine has a molecular weight of 220.31 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,9aS)-4a,8,8-trimethyl-4,6,7,9a-tetrahydroindeno[2,1-d][1,3]dioxine is sourced from PubChem (CID 71126056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).