9-(3-methylpentoxy)-9-prop-1-ynylfluorene

C22H24O — CID 164808855

IUPAC9-(3-methylpentoxy)-9-prop-1-ynylfluorene
SMILESCC#CC1(OCCC(C)CC)c2ccccc2-c2ccccc21
InChIInChI=1S/C22H24O/c1-4-15-22(23-16-14-17(3)5-2)20-12-8-6-10-18(20)19-11-7-9-13-21(19)22/h6-13,17H,5,14,16H2,1-3H3
InChIKeyDEEIOBXAXWVWHX-UHFFFAOYSA-N
MW304.43 g/mol
LogP5.39
Rot. Bonds5

About 9-(3-methylpentoxy)-9-prop-1-ynylfluorene

9-(3-methylpentoxy)-9-prop-1-ynylfluorene (PubChem CID 164808855) has the molecular formula C22H24O and a molecular weight of 304.43 g/mol. Its IUPAC name is 9-(3-methylpentoxy)-9-prop-1-ynylfluorene.

Molecular Properties

Compound Name9-(3-methylpentoxy)-9-prop-1-ynylfluorene
PubChem CID164808855
Molecular FormulaC22H24O
Molecular Weight304.43 g/mol
Exact Mass304.18
IUPAC Name9-(3-methylpentoxy)-9-prop-1-ynylfluorene
SMILESCC#CC1(OCCC(C)CC)c2ccccc2-c2ccccc21
InChIInChI=1S/C22H24O/c1-4-15-22(23-16-14-17(3)5-2)20-12-8-6-10-18(20)19-11-7-9-13-21(19)22/h6-13,17H,5,14,16H2,1-3H3
InChIKeyDEEIOBXAXWVWHX-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.43
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(3-methylpentoxy)-9-prop-1-ynylfluorene?
The IUPAC name of 9-(3-methylpentoxy)-9-prop-1-ynylfluorene (CID 164808855) is 9-(3-methylpentoxy)-9-prop-1-ynylfluorene.
What is the SMILES notation for 9-(3-methylpentoxy)-9-prop-1-ynylfluorene?
The canonical SMILES for 9-(3-methylpentoxy)-9-prop-1-ynylfluorene is CC#CC1(OCCC(C)CC)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-(3-methylpentoxy)-9-prop-1-ynylfluorene?
The InChIKey is DEEIOBXAXWVWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O/c1-4-15-22(23-16-14-17(3)5-2)20-12-8-6-10-18(20)19-11-7-9-13-21(19)22/h6-13,17H,5,14,16H2,1-3H3.
What are the key properties of 9-(3-methylpentoxy)-9-prop-1-ynylfluorene?
9-(3-methylpentoxy)-9-prop-1-ynylfluorene has a molecular weight of 304.43 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylpentoxy)-9-prop-1-ynylfluorene is sourced from PubChem (CID 164808855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).