9,9-dimethoxy-1,2,3,4,5,6,7,8-octahydrofluorene

C15H22O2 — CID 174872652

IUPAC9,9-dimethoxy-1,2,3,4,5,6,7,8-octahydrofluorene
SMILESCOC1(OC)C2=C(CCCC2)C2=C1CCCC2
InChIInChI=1S/C15H22O2/c1-16-15(17-2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10H2,1-2H3
InChIKeyNJKHHAQHVZDGDN-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.73
Rot. Bonds2

About 9,9-dimethoxy-1,2,3,4,5,6,7,8-octahydrofluorene

9,9-dimethoxy-1,2,3,4,5,6,7,8-octahydrofluorene (PubChem CID 174872652) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 9,9-dimethoxy-1,2,3,4,5,6,7,8-octahydrofluorene.

Molecular Properties

Compound Name9,9-dimethoxy-1,2,3,4,5,6,7,8-octahydrofluorene
PubChem CID174872652
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name9,9-dimethoxy-1,2,3,4,5,6,7,8-octahydrofluorene
SMILESCOC1(OC)C2=C(CCCC2)C2=C1CCCC2
InChIInChI=1S/C15H22O2/c1-16-15(17-2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10H2,1-2H3
InChIKeyNJKHHAQHVZDGDN-UHFFFAOYSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 9,9-dimethoxy-1,2,3,4,5,6,7,8-octahydrofluorene?
The IUPAC name of 9,9-dimethoxy-1,2,3,4,5,6,7,8-octahydrofluorene (CID 174872652) is 9,9-dimethoxy-1,2,3,4,5,6,7,8-octahydrofluorene.
What is the SMILES notation for 9,9-dimethoxy-1,2,3,4,5,6,7,8-octahydrofluorene?
The canonical SMILES for 9,9-dimethoxy-1,2,3,4,5,6,7,8-octahydrofluorene is COC1(OC)C2=C(CCCC2)C2=C1CCCC2.
What is the InChIKey of 9,9-dimethoxy-1,2,3,4,5,6,7,8-octahydrofluorene?
The InChIKey is NJKHHAQHVZDGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-16-15(17-2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10H2,1-2H3.
What are the key properties of 9,9-dimethoxy-1,2,3,4,5,6,7,8-octahydrofluorene?
9,9-dimethoxy-1,2,3,4,5,6,7,8-octahydrofluorene has a molecular weight of 234.34 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethoxy-1,2,3,4,5,6,7,8-octahydrofluorene is sourced from PubChem (CID 174872652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).