2'-chloro-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene]

C22H25Cl — CID 167289014

IUPAC2'-chloro-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene]
SMILESCC1CC2(c3ccccc3-c3ccc(Cl)cc32)C(C)(C)C1(C)C
InChIInChI=1S/C22H25Cl/c1-14-13-22(21(4,5)20(14,2)3)18-9-7-6-8-16(18)17-11-10-15(23)12-19(17)22/h6-12,14H,13H2,1-5H3
InChIKeyBKSSFMOECORXMS-UHFFFAOYSA-N
MW324.89 g/mol
LogP6.70
Rot. Bonds

About 2'-chloro-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene]

2'-chloro-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene] (PubChem CID 167289014) has the molecular formula C22H25Cl and a molecular weight of 324.89 g/mol. Its IUPAC name is 2'-chloro-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene].

Molecular Properties

Compound Name2'-chloro-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene]
PubChem CID167289014
Molecular FormulaC22H25Cl
Molecular Weight324.89 g/mol
Exact Mass324.16
IUPAC Name2'-chloro-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene]
SMILESCC1CC2(c3ccccc3-c3ccc(Cl)cc32)C(C)(C)C1(C)C
InChIInChI=1S/C22H25Cl/c1-14-13-22(21(4,5)20(14,2)3)18-9-7-6-8-16(18)17-11-10-15(23)12-19(17)22/h6-12,14H,13H2,1-5H3
InChIKeyBKSSFMOECORXMS-UHFFFAOYSA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.89
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2'-chloro-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene] with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 167289029
7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene
CID 171439038
2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 138667036
CID 102192841
CID 102192841
3'-(7-chloro-9,9-dimethylfluoren-2-yl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
CID 156573187
2'-chloro-1,3-dideuteriospiro[adamantane-2,9'-fluorene]
CID 176825160
2-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]
CID 130260395
7-chloro-1-iodo-9,9-dimethylfluorene
CID 139958810
3,6-dichlorospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130265363
1-(2,5-dichlorophenyl)-2-methylcyclopropan-1-ol
CID 79332312
2-chlorospiro[fluorene-9,7'-tricyclo[4.3.1.03,8]decane]
CID 156577036
7'-chloro-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 154935196

Frequently Asked Questions

What is the IUPAC name of 2'-chloro-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene]?
The IUPAC name of 2'-chloro-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene] (CID 167289014) is 2'-chloro-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene].
What is the SMILES notation for 2'-chloro-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene]?
The canonical SMILES for 2'-chloro-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene] is CC1CC2(c3ccccc3-c3ccc(Cl)cc32)C(C)(C)C1(C)C.
What is the InChIKey of 2'-chloro-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene]?
The InChIKey is BKSSFMOECORXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl/c1-14-13-22(21(4,5)20(14,2)3)18-9-7-6-8-16(18)17-11-10-15(23)12-19(17)22/h6-12,14H,13H2,1-5H3.
What are the key properties of 2'-chloro-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene]?
2'-chloro-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene] has a molecular weight of 324.89 g/mol, XLogP of 6.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-chloro-2,2,3,3,4-pentamethylspiro[cyclopentane-1,9'-fluorene] is sourced from PubChem (CID 167289014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).