(2R,3R,4S,5S)-2,3,4,5-tetramethylspiro[cyclopentane-1,9'-fluorene]

C21H24 — CID 153440114

IUPAC(2R,3R,4S,5S)-2,3,4,5-tetramethylspiro[cyclopentane-1,9'-fluorene]
SMILESC[C@@H]1[C@H](C)[C@H](C)C2(c3ccccc3-c3ccccc32)[C@@H]1C
InChIInChI=1S/C21H24/c1-13-14(2)16(4)21(15(13)3)19-11-7-5-9-17(19)18-10-6-8-12-20(18)21/h5-16H,1-4H3/t13-,14+,15-,16+
InChIKeyASLIMGKWDRWRLS-GEEKYZPCSA-N
MW276.42 g/mol
LogP5.51
Rot. Bonds

About (2R,3R,4S,5S)-2,3,4,5-tetramethylspiro[cyclopentane-1,9'-fluorene]

(2R,3R,4S,5S)-2,3,4,5-tetramethylspiro[cyclopentane-1,9'-fluorene] (PubChem CID 153440114) has the molecular formula C21H24 and a molecular weight of 276.42 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2,3,4,5-tetramethylspiro[cyclopentane-1,9'-fluorene].

Molecular Properties

Compound Name(2R,3R,4S,5S)-2,3,4,5-tetramethylspiro[cyclopentane-1,9'-fluorene]
PubChem CID153440114
Molecular FormulaC21H24
Molecular Weight276.42 g/mol
Exact Mass276.19
IUPAC Name(2R,3R,4S,5S)-2,3,4,5-tetramethylspiro[cyclopentane-1,9'-fluorene]
SMILESC[C@@H]1[C@H](C)[C@H](C)C2(c3ccccc3-c3ccccc32)[C@@H]1C
InChIInChI=1S/C21H24/c1-13-14(2)16(4)21(15(13)3)19-11-7-5-9-17(19)18-10-6-8-12-20(18)21/h5-16H,1-4H3/t13-,14+,15-,16+
InChIKeyASLIMGKWDRWRLS-GEEKYZPCSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3'R)-3'-methylspiro[fluorene-9,2'-oxirane]
CID 101107078
4-[9-(4-hydroxy-3,5-dimethylcyclohexyl)fluoren-9-yl]-2,6-dimethylcyclohexan-1-ol
CID 139824851
spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]
CID 123717351
(2'R,4'S)-2',3',4'-trimethylspiro[2H-indene-3,1'-cyclobutane]-1-one
CID 135173286
ethane;9-fluoro-9-methylfluorene
CID 163249751
methane;9-methylfluoren-9-ol
CID 160708378
ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420
3-methyl-4-methylidenespiro[cyclopentane-1,9'-fluorene]
CID 10890210
CID 129037961
CID 129037961
2-tert-butyl-4-[9-(3-tert-butyl-4-hydroxycyclohexyl)fluoren-9-yl]cyclohexan-1-ol
CID 139824935
1,1,1',1',2,2'-hexamethyl-3,3'-spirobi[2H-indene]
CID 18728941
3-methylspiro[azirine-2,9'-fluorene]
CID 13480601

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2,3,4,5-tetramethylspiro[cyclopentane-1,9'-fluorene]?
The IUPAC name of (2R,3R,4S,5S)-2,3,4,5-tetramethylspiro[cyclopentane-1,9'-fluorene] (CID 153440114) is (2R,3R,4S,5S)-2,3,4,5-tetramethylspiro[cyclopentane-1,9'-fluorene].
What is the SMILES notation for (2R,3R,4S,5S)-2,3,4,5-tetramethylspiro[cyclopentane-1,9'-fluorene]?
The canonical SMILES for (2R,3R,4S,5S)-2,3,4,5-tetramethylspiro[cyclopentane-1,9'-fluorene] is C[C@@H]1[C@H](C)[C@H](C)C2(c3ccccc3-c3ccccc32)[C@@H]1C.
What is the InChIKey of (2R,3R,4S,5S)-2,3,4,5-tetramethylspiro[cyclopentane-1,9'-fluorene]?
The InChIKey is ASLIMGKWDRWRLS-GEEKYZPCSA-N. The full InChI is InChI=1S/C21H24/c1-13-14(2)16(4)21(15(13)3)19-11-7-5-9-17(19)18-10-6-8-12-20(18)21/h5-16H,1-4H3/t13-,14+,15-,16+.
What are the key properties of (2R,3R,4S,5S)-2,3,4,5-tetramethylspiro[cyclopentane-1,9'-fluorene]?
(2R,3R,4S,5S)-2,3,4,5-tetramethylspiro[cyclopentane-1,9'-fluorene] has a molecular weight of 276.42 g/mol, XLogP of 5.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2,3,4,5-tetramethylspiro[cyclopentane-1,9'-fluorene] is sourced from PubChem (CID 153440114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).