1,3-ditert-butylspiro[2,4,5,6-tetrahydroindene-7,2'-oxolane]

C20H32O — CID 118314314

IUPAC1,3-ditert-butylspiro[2,4,5,6-tetrahydroindene-7,2'-oxolane]
SMILESCC(C)(C)C1=C2CCCC3(CCCO3)C2=C(C(C)(C)C)C1
InChIInChI=1S/C20H32O/c1-18(2,3)15-13-16(19(4,5)6)17-14(15)9-7-10-20(17)11-8-12-21-20/h7-13H2,1-6H3
InChIKeyOANKHIXRBTXBFL-UHFFFAOYSA-N
MW288.47 g/mol
LogP5.81
Rot. Bonds

About 1,3-ditert-butylspiro[2,4,5,6-tetrahydroindene-7,2'-oxolane]

1,3-ditert-butylspiro[2,4,5,6-tetrahydroindene-7,2'-oxolane] (PubChem CID 118314314) has the molecular formula C20H32O and a molecular weight of 288.47 g/mol. Its IUPAC name is 1,3-ditert-butylspiro[2,4,5,6-tetrahydroindene-7,2'-oxolane].

Molecular Properties

Compound Name1,3-ditert-butylspiro[2,4,5,6-tetrahydroindene-7,2'-oxolane]
PubChem CID118314314
Molecular FormulaC20H32O
Molecular Weight288.47 g/mol
Exact Mass288.25
IUPAC Name1,3-ditert-butylspiro[2,4,5,6-tetrahydroindene-7,2'-oxolane]
SMILESCC(C)(C)C1=C2CCCC3(CCCO3)C2=C(C(C)(C)C)C1
InChIInChI=1S/C20H32O/c1-18(2,3)15-13-16(19(4,5)6)17-14(15)9-7-10-20(17)11-8-12-21-20/h7-13H2,1-6H3
InChIKeyOANKHIXRBTXBFL-UHFFFAOYSA-N
XLogP5.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.47
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-ditert-butylspiro[2,4,5,6-tetrahydroindene-7,2'-oxolane] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-3,5-dimethylidene-7,7a-dihydro-6H-1-benzofuran
CID 122233548
10-Methoxy-9,9-dimethyl-1,2,3,5,6,7,8,10-octahydrocyclopenta[g][2]benzoxepine
CID 49766347
2,2-Bis(3,4,5,5-tetramethyl-2-propan-2-ylcyclopenta-1,3-dien-1-yl)oxolane
CID 22065614
2,2-Bis(2-butyl-3,4,5,5-tetramethylcyclopenta-1,3-dien-1-yl)oxolane
CID 22065618
3-Iodo-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
CID 22286650
3-Iodo-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane
CID 22286651
3-Methyl-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
CID 22286654
3-Methyl-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane
CID 22286655
1,1,2,2-Tetramethyl-3a,4,5,5a,6,7,8,9-octahydrobenzo[e][1]benzofuran
CID 69171149
2-Methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
CID 87913141
2-Methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane
CID 87913142
2,2-Bis(3,4,5,5-tetramethyl-2-propan-2-ylcyclopenta-1,3-dien-1-yl)oxolane;samarium
CID 87933255

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butylspiro[2,4,5,6-tetrahydroindene-7,2'-oxolane]?
The IUPAC name of 1,3-ditert-butylspiro[2,4,5,6-tetrahydroindene-7,2'-oxolane] (CID 118314314) is 1,3-ditert-butylspiro[2,4,5,6-tetrahydroindene-7,2'-oxolane].
What is the SMILES notation for 1,3-ditert-butylspiro[2,4,5,6-tetrahydroindene-7,2'-oxolane]?
The canonical SMILES for 1,3-ditert-butylspiro[2,4,5,6-tetrahydroindene-7,2'-oxolane] is CC(C)(C)C1=C2CCCC3(CCCO3)C2=C(C(C)(C)C)C1.
What is the InChIKey of 1,3-ditert-butylspiro[2,4,5,6-tetrahydroindene-7,2'-oxolane]?
The InChIKey is OANKHIXRBTXBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-18(2,3)15-13-16(19(4,5)6)17-14(15)9-7-10-20(17)11-8-12-21-20/h7-13H2,1-6H3.
What are the key properties of 1,3-ditert-butylspiro[2,4,5,6-tetrahydroindene-7,2'-oxolane]?
1,3-ditert-butylspiro[2,4,5,6-tetrahydroindene-7,2'-oxolane] has a molecular weight of 288.47 g/mol, XLogP of 5.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butylspiro[2,4,5,6-tetrahydroindene-7,2'-oxolane] is sourced from PubChem (CID 118314314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).