5-(2,2,5,5-tetramethyloxolan-3-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

C19H28O2 — CID 114621902

IUPAC5-(2,2,5,5-tetramethyloxolan-3-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESCC1(C)CC(C2(O)CCCCc3ccccc32)C(C)(C)O1
InChIInChI=1S/C19H28O2/c1-17(2)13-16(18(3,4)21-17)19(20)12-8-7-10-14-9-5-6-11-15(14)19/h5-6,9,11,16,20H,7-8,10,12-13H2,1-4H3
InChIKeyFLMMYQKVAZONOT-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.19
Rot. Bonds1

About 5-(2,2,5,5-tetramethyloxolan-3-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

5-(2,2,5,5-tetramethyloxolan-3-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (PubChem CID 114621902) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 5-(2,2,5,5-tetramethyloxolan-3-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.

Molecular Properties

Compound Name5-(2,2,5,5-tetramethyloxolan-3-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
PubChem CID114621902
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name5-(2,2,5,5-tetramethyloxolan-3-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESCC1(C)CC(C2(O)CCCCc3ccccc32)C(C)(C)O1
InChIInChI=1S/C19H28O2/c1-17(2)13-16(18(3,4)21-17)19(20)12-8-7-10-14-9-5-6-11-15(14)19/h5-6,9,11,16,20H,7-8,10,12-13H2,1-4H3
InChIKeyFLMMYQKVAZONOT-UHFFFAOYSA-N
XLogP4.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,5,5-tetramethyloxolan-3-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The IUPAC name of 5-(2,2,5,5-tetramethyloxolan-3-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (CID 114621902) is 5-(2,2,5,5-tetramethyloxolan-3-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.
What is the SMILES notation for 5-(2,2,5,5-tetramethyloxolan-3-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The canonical SMILES for 5-(2,2,5,5-tetramethyloxolan-3-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is CC1(C)CC(C2(O)CCCCc3ccccc32)C(C)(C)O1.
What is the InChIKey of 5-(2,2,5,5-tetramethyloxolan-3-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The InChIKey is FLMMYQKVAZONOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-17(2)13-16(18(3,4)21-17)19(20)12-8-7-10-14-9-5-6-11-15(14)19/h5-6,9,11,16,20H,7-8,10,12-13H2,1-4H3.
What are the key properties of 5-(2,2,5,5-tetramethyloxolan-3-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
5-(2,2,5,5-tetramethyloxolan-3-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol has a molecular weight of 288.43 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,5,5-tetramethyloxolan-3-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is sourced from PubChem (CID 114621902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).