9,9-dimethyl-1,6-di(propan-2-yl)fluorene

C21H26 — CID 158076847

IUPAC9,9-dimethyl-1,6-di(propan-2-yl)fluorene
SMILESCC(C)c1ccc2c(c1)-c1cccc(C(C)C)c1C2(C)C
InChIInChI=1S/C21H26/c1-13(2)15-10-11-19-18(12-15)17-9-7-8-16(14(3)4)20(17)21(19,5)6/h7-14H,1-6H3
InChIKeyRCHIPBIKRKXYLJ-UHFFFAOYSA-N
MW278.44 g/mol
LogP6.24
Rot. Bonds2

About 9,9-dimethyl-1,6-di(propan-2-yl)fluorene

9,9-dimethyl-1,6-di(propan-2-yl)fluorene (PubChem CID 158076847) has the molecular formula C21H26 and a molecular weight of 278.44 g/mol. Its IUPAC name is 9,9-dimethyl-1,6-di(propan-2-yl)fluorene.

Molecular Properties

Compound Name9,9-dimethyl-1,6-di(propan-2-yl)fluorene
PubChem CID158076847
Molecular FormulaC21H26
Molecular Weight278.44 g/mol
Exact Mass278.20
IUPAC Name9,9-dimethyl-1,6-di(propan-2-yl)fluorene
SMILESCC(C)c1ccc2c(c1)-c1cccc(C(C)C)c1C2(C)C
InChIInChI=1S/C21H26/c1-13(2)15-10-11-19-18(12-15)17-9-7-8-16(14(3)4)20(17)21(19,5)6/h7-14H,1-6H3
InChIKeyRCHIPBIKRKXYLJ-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1',3-di(propan-2-yl)-9,9'-spirobi[fluorene];1,6-di(propan-2-yl)-9,9'-spirobi[fluorene];1',8'-di(propan-2-yl)-9,9'-spirobi[fluorene];2,6-di(propan-2-yl)-9,9'-spirobi[fluorene];2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,3'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]
CID 159493232
8-tert-butyl-7,7-dimethylbenzo[c]fluorene;9-tert-butyl-7,7-dimethylbenzo[c]fluorene;10-tert-butyl-7,7-dimethylbenzo[c]fluorene;11,11-dimethyl-1-propan-2-ylbenzo[b]fluorene;11,11-dimethyl-2-propan-2-ylbenzo[b]fluorene;11,11-dimethyl-3-propan-2-ylbenzo[b]fluorene;11,11-dimethyl-4-propan-2-ylbenzo[b]fluorene
CID 159909633
1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium
CID 162062988
9,9,10,10-tetramethyl-2,6-di(propan-2-yl)anthracene
CID 59611136
4,7,7-trimethyl-9-propan-2-ylbenzo[a]phenalene
CID 90901601
7,7-dimethyl-10-propan-2-ylbenzo[c]fluorene
CID 140704515
1,6-di(propan-2-yl)naphthalene
CID 3016596
1-methyl-2-(3,9,9-trimethyl-6-propan-2-ylfluoren-2-yl)pyridin-1-ium
CID 157243436
17,17-dimethyl-4,12-di(propan-2-yl)-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2(7),3,5,9(14),10,12,15(26),16(24),18,20,22-dodecaene
CID 176726676
1-methyl-3-propan-2-ylbenzene;2-propan-2-ylaniline;4-propan-2-ylaniline
CID 159752223
3,3-dimethyl-6-propan-2-yl-2H-inden-1-one
CID 79837737
2-[4-[(1R,2S)-1-(9,9-dimethylfluoren-1-yl)-1-(4-phenylphenyl)propan-2-yl]phenyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 145092823

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-1,6-di(propan-2-yl)fluorene?
The IUPAC name of 9,9-dimethyl-1,6-di(propan-2-yl)fluorene (CID 158076847) is 9,9-dimethyl-1,6-di(propan-2-yl)fluorene.
What is the SMILES notation for 9,9-dimethyl-1,6-di(propan-2-yl)fluorene?
The canonical SMILES for 9,9-dimethyl-1,6-di(propan-2-yl)fluorene is CC(C)c1ccc2c(c1)-c1cccc(C(C)C)c1C2(C)C.
What is the InChIKey of 9,9-dimethyl-1,6-di(propan-2-yl)fluorene?
The InChIKey is RCHIPBIKRKXYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26/c1-13(2)15-10-11-19-18(12-15)17-9-7-8-16(14(3)4)20(17)21(19,5)6/h7-14H,1-6H3.
What are the key properties of 9,9-dimethyl-1,6-di(propan-2-yl)fluorene?
9,9-dimethyl-1,6-di(propan-2-yl)fluorene has a molecular weight of 278.44 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-1,6-di(propan-2-yl)fluorene is sourced from PubChem (CID 158076847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).