2'-tert-butylspiro[cyclohexane-1,9'-fluorene]

C22H26 — CID 168798514

IUPAC2'-tert-butylspiro[cyclohexane-1,9'-fluorene]
SMILESCC(C)(C)c1ccc2c(c1)C1(CCCCC1)c1ccccc1-2
InChIInChI=1S/C22H26/c1-21(2,3)16-11-12-18-17-9-5-6-10-19(17)22(20(18)15-16)13-7-4-8-14-22/h5-6,9-12,15H,4,7-8,13-14H2,1-3H3
InChIKeyNLBCXWXZIRKXIF-UHFFFAOYSA-N
MW290.45 g/mol
LogP6.21
Rot. Bonds

About 2'-tert-butylspiro[cyclohexane-1,9'-fluorene]

2'-tert-butylspiro[cyclohexane-1,9'-fluorene] (PubChem CID 168798514) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2'-tert-butylspiro[cyclohexane-1,9'-fluorene].

Molecular Properties

Compound Name2'-tert-butylspiro[cyclohexane-1,9'-fluorene]
PubChem CID168798514
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name2'-tert-butylspiro[cyclohexane-1,9'-fluorene]
SMILESCC(C)(C)c1ccc2c(c1)C1(CCCCC1)c1ccccc1-2
InChIInChI=1S/C22H26/c1-21(2,3)16-11-12-18-17-9-5-6-10-19(17)22(20(18)15-16)13-7-4-8-14-22/h5-6,9-12,15H,4,7-8,13-14H2,1-3H3
InChIKeyNLBCXWXZIRKXIF-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2'-(3,5-ditert-butylphenyl)spiro[cyclopentane-1,9'-fluorene]
CID 170924915
2'-tert-butyl-7'-propan-2-ylspiro[cyclopentane-1,9'-fluorene]
CID 170534798
2'-fluorospiro[cyclohexane-1,9'-fluorene]
CID 18740734
2'-phenylspiro[cyclohexane-1,9'-fluorene]
CID 123183554
2,7-ditert-butyl-9-[2-[2-(2,7-ditert-butyl-9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol
CID 10055798
spiro[benzo[b]fluorene-11,1'-cyclopentane]
CID 59806759
2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane
CID 167665331
2'-(6-spiro[cyclopentane-1,9'-fluorene]-2'-ylnaphthalen-2-yl)spiro[cyclopentane-1,9'-fluorene]
CID 58814373
N-(4-tert-butylphenyl)-5,6,8-triphenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yltriphenylen-2-amine
CID 59307655
N-(4-tert-butylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170218153
N-[2-(4-tert-butylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170215895
2,4,6-tri(spiro[cyclopentane-1,9'-fluorene]-2'-yl)pyrimidine
CID 71215635

Frequently Asked Questions

What is the IUPAC name of 2'-tert-butylspiro[cyclohexane-1,9'-fluorene]?
The IUPAC name of 2'-tert-butylspiro[cyclohexane-1,9'-fluorene] (CID 168798514) is 2'-tert-butylspiro[cyclohexane-1,9'-fluorene].
What is the SMILES notation for 2'-tert-butylspiro[cyclohexane-1,9'-fluorene]?
The canonical SMILES for 2'-tert-butylspiro[cyclohexane-1,9'-fluorene] is CC(C)(C)c1ccc2c(c1)C1(CCCCC1)c1ccccc1-2.
What is the InChIKey of 2'-tert-butylspiro[cyclohexane-1,9'-fluorene]?
The InChIKey is NLBCXWXZIRKXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26/c1-21(2,3)16-11-12-18-17-9-5-6-10-19(17)22(20(18)15-16)13-7-4-8-14-22/h5-6,9-12,15H,4,7-8,13-14H2,1-3H3.
What are the key properties of 2'-tert-butylspiro[cyclohexane-1,9'-fluorene]?
2'-tert-butylspiro[cyclohexane-1,9'-fluorene] has a molecular weight of 290.45 g/mol, XLogP of 6.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-tert-butylspiro[cyclohexane-1,9'-fluorene] is sourced from PubChem (CID 168798514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).