2,2-dimethoxypropane;1,2,3,4-tetrahydrofluoren-9-one

C18H24O3 — CID 67640352

IUPAC2,2-dimethoxypropane;1,2,3,4-tetrahydrofluoren-9-one
SMILESCOC(C)(C)OC.O=C1C2=C(CCCC2)c2ccccc21
InChIInChI=1S/C13H12O.C5H12O2/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-5(2,6-3)7-4/h1,3,5,7H,2,4,6,8H2;1-4H3
InChIKeyWDNURUFHZCJHIB-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.23
Rot. Bonds2

About 2,2-dimethoxypropane;1,2,3,4-tetrahydrofluoren-9-one

2,2-dimethoxypropane;1,2,3,4-tetrahydrofluoren-9-one (PubChem CID 67640352) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2,2-dimethoxypropane;1,2,3,4-tetrahydrofluoren-9-one.

Molecular Properties

Compound Name2,2-dimethoxypropane;1,2,3,4-tetrahydrofluoren-9-one
PubChem CID67640352
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name2,2-dimethoxypropane;1,2,3,4-tetrahydrofluoren-9-one
SMILESCOC(C)(C)OC.O=C1C2=C(CCCC2)c2ccccc21
InChIInChI=1S/C13H12O.C5H12O2/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-5(2,6-3)7-4/h1,3,5,7H,2,4,6,8H2;1-4H3
InChIKeyWDNURUFHZCJHIB-UHFFFAOYSA-N
XLogP4.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxypropane;1,2,3,4-tetrahydrofluoren-9-one?
The IUPAC name of 2,2-dimethoxypropane;1,2,3,4-tetrahydrofluoren-9-one (CID 67640352) is 2,2-dimethoxypropane;1,2,3,4-tetrahydrofluoren-9-one.
What is the SMILES notation for 2,2-dimethoxypropane;1,2,3,4-tetrahydrofluoren-9-one?
The canonical SMILES for 2,2-dimethoxypropane;1,2,3,4-tetrahydrofluoren-9-one is COC(C)(C)OC.O=C1C2=C(CCCC2)c2ccccc21.
What is the InChIKey of 2,2-dimethoxypropane;1,2,3,4-tetrahydrofluoren-9-one?
The InChIKey is WDNURUFHZCJHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O.C5H12O2/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-5(2,6-3)7-4/h1,3,5,7H,2,4,6,8H2;1-4H3.
What are the key properties of 2,2-dimethoxypropane;1,2,3,4-tetrahydrofluoren-9-one?
2,2-dimethoxypropane;1,2,3,4-tetrahydrofluoren-9-one has a molecular weight of 288.39 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxypropane;1,2,3,4-tetrahydrofluoren-9-one is sourced from PubChem (CID 67640352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).