ethane;2-methyl-7-prop-1-ynyl-9H-fluorene

C21H26 — CID 90768512

IUPACethane;2-methyl-7-prop-1-ynyl-9H-fluorene
SMILESCC.CC.CC#Cc1ccc2c(c1)Cc1cc(C)ccc1-2
InChIInChI=1S/C17H14.2C2H6/c1-3-4-13-6-8-17-15(10-13)11-14-9-12(2)5-7-16(14)17;2*1-2/h5-10H,11H2,1-2H3;2*1-2H3
InChIKeyFAUKRRCEOZSOON-UHFFFAOYSA-N
MW278.44 g/mol
LogP5.99
Rot. Bonds

About ethane;2-methyl-7-prop-1-ynyl-9H-fluorene

ethane;2-methyl-7-prop-1-ynyl-9H-fluorene (PubChem CID 90768512) has the molecular formula C21H26 and a molecular weight of 278.44 g/mol. Its IUPAC name is ethane;2-methyl-7-prop-1-ynyl-9H-fluorene.

Molecular Properties

Compound Nameethane;2-methyl-7-prop-1-ynyl-9H-fluorene
PubChem CID90768512
Molecular FormulaC21H26
Molecular Weight278.44 g/mol
Exact Mass278.20
IUPAC Nameethane;2-methyl-7-prop-1-ynyl-9H-fluorene
SMILESCC.CC.CC#Cc1ccc2c(c1)Cc1cc(C)ccc1-2
InChIInChI=1S/C17H14.2C2H6/c1-3-4-13-6-8-17-15(10-13)11-14-9-12(2)5-7-16(14)17;2*1-2/h5-10H,11H2,1-2H3;2*1-2H3
InChIKeyFAUKRRCEOZSOON-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;2-methyl-7-prop-1-ynyl-9H-fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7-bis(prop-1-ynyl)-9H-fluorene;ethane
CID 90976164
2,7-bis(prop-1-ynyl)-9H-fluorene
CID 15861923
bis(2,7-dimethyl-9H-fluorene);ethane;methane
CID 159270379
10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene
CID 157144570
butane;2,7-dimethyl-9H-fluorene;ethane;methane
CID 143631351
dichlorozirconium;2,7-dimethyl-9H-fluorene
CID 174320466
1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene
CID 159931910
ethane;1-methyl-4-prop-1-ynylbenzene
CID 91181270
2-bromo-7-methyl-9H-fluorene
CID 21041918
2,9-dimethyl-11,12-dihydroindeno[2,1-a]fluorene;2,8-dimethyl-6,12-dihydroindeno[1,2-b]fluorene
CID 159175556
1,7-dimethyl-2-[2-(4-methylphenyl)ethynyl]-9H-fluorene;ethane;ethene
CID 142043230
1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene
CID 163621135

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-7-prop-1-ynyl-9H-fluorene?
The IUPAC name of ethane;2-methyl-7-prop-1-ynyl-9H-fluorene (CID 90768512) is ethane;2-methyl-7-prop-1-ynyl-9H-fluorene.
What is the SMILES notation for ethane;2-methyl-7-prop-1-ynyl-9H-fluorene?
The canonical SMILES for ethane;2-methyl-7-prop-1-ynyl-9H-fluorene is CC.CC.CC#Cc1ccc2c(c1)Cc1cc(C)ccc1-2.
What is the InChIKey of ethane;2-methyl-7-prop-1-ynyl-9H-fluorene?
The InChIKey is FAUKRRCEOZSOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14.2C2H6/c1-3-4-13-6-8-17-15(10-13)11-14-9-12(2)5-7-16(14)17;2*1-2/h5-10H,11H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-methyl-7-prop-1-ynyl-9H-fluorene?
ethane;2-methyl-7-prop-1-ynyl-9H-fluorene has a molecular weight of 278.44 g/mol, XLogP of 5.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-7-prop-1-ynyl-9H-fluorene is sourced from PubChem (CID 90768512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).