2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene

C17H16 — CID 164789632

IUPAC2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene
SMILESC#CC1=CC2=C(CC1)c1ccccc1C2(C)C
InChIInChI=1S/C17H16/c1-4-12-9-10-14-13-7-5-6-8-15(13)17(2,3)16(14)11-12/h1,5-8,11H,9-10H2,2-3H3
InChIKeyDMPPOQORDYRFMK-UHFFFAOYSA-N
MW220.31 g/mol
LogP4.08
Rot. Bonds

About 2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene

2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene (PubChem CID 164789632) has the molecular formula C17H16 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene.

Molecular Properties

Compound Name2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene
PubChem CID164789632
Molecular FormulaC17H16
Molecular Weight220.31 g/mol
Exact Mass220.13
IUPAC Name2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene
SMILESC#CC1=CC2=C(CC1)c1ccccc1C2(C)C
InChIInChI=1S/C17H16/c1-4-12-9-10-14-13-7-5-6-8-15(13)17(2,3)16(14)11-12/h1,5-8,11H,9-10H2,2-3H3
InChIKeyDMPPOQORDYRFMK-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene?
The IUPAC name of 2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene (CID 164789632) is 2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene.
What is the SMILES notation for 2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene?
The canonical SMILES for 2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene is C#CC1=CC2=C(CC1)c1ccccc1C2(C)C.
What is the InChIKey of 2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene?
The InChIKey is DMPPOQORDYRFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16/c1-4-12-9-10-14-13-7-5-6-8-15(13)17(2,3)16(14)11-12/h1,5-8,11H,9-10H2,2-3H3.
What are the key properties of 2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene?
2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene has a molecular weight of 220.31 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-9,9-dimethyl-3,4-dihydrofluorene is sourced from PubChem (CID 164789632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).