8-(3-tert-butylphenyl)spiro[4.5]decane

C20H30 — CID 90870851

IUPAC8-(3-tert-butylphenyl)spiro[4.5]decane
SMILESCC(C)(C)c1cccc(C2CCC3(CCCC3)CC2)c1
InChIInChI=1S/C20H30/c1-19(2,3)18-8-6-7-17(15-18)16-9-13-20(14-10-16)11-4-5-12-20/h6-8,15-16H,4-5,9-14H2,1-3H3
InChIKeyAPFWDJWTYGCGOB-UHFFFAOYSA-N
MW270.46 g/mol
LogP6.20
Rot. Bonds1

About 8-(3-tert-butylphenyl)spiro[4.5]decane

8-(3-tert-butylphenyl)spiro[4.5]decane (PubChem CID 90870851) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is 8-(3-tert-butylphenyl)spiro[4.5]decane.

Molecular Properties

Compound Name8-(3-tert-butylphenyl)spiro[4.5]decane
PubChem CID90870851
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name8-(3-tert-butylphenyl)spiro[4.5]decane
SMILESCC(C)(C)c1cccc(C2CCC3(CCCC3)CC2)c1
InChIInChI=1S/C20H30/c1-19(2,3)18-8-6-7-17(15-18)16-9-13-20(14-10-16)11-4-5-12-20/h6-8,15-16H,4-5,9-14H2,1-3H3
InChIKeyAPFWDJWTYGCGOB-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(3-tert-butylphenyl)-1-cyclopentylpiperidine
CID 69029938
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CID 58432874
1-(3-cyclobutylphenyl)-1-cyclopropylethanol
CID 114601106
2-(3-cyclobutylphenyl)-2-methylpropan-1-amine
CID 114607219
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
2-(3-cyclopropylphenyl)-2-methylpropan-1-amine
CID 155943933
6-phenylspiro[2.5]octane
CID 123640963
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
(2R)-1-[3-(3-tert-butylphenyl)-8-azaspiro[4.5]decan-8-yl]-2-(hydroxymethyl)butan-1-one
CID 170371825
1-tert-butyl-3-[(3-cyclopropylphenyl)-difluoromethyl]-2-fluorobenzene
CID 177124857
1-(3-cyclobutylphenyl)-1-(4-methylphenyl)ethanol
CID 114601068
tert-butylbenzene;cyclohexylbenzene
CID 158089404

Frequently Asked Questions

What is the IUPAC name of 8-(3-tert-butylphenyl)spiro[4.5]decane?
The IUPAC name of 8-(3-tert-butylphenyl)spiro[4.5]decane (CID 90870851) is 8-(3-tert-butylphenyl)spiro[4.5]decane.
What is the SMILES notation for 8-(3-tert-butylphenyl)spiro[4.5]decane?
The canonical SMILES for 8-(3-tert-butylphenyl)spiro[4.5]decane is CC(C)(C)c1cccc(C2CCC3(CCCC3)CC2)c1.
What is the InChIKey of 8-(3-tert-butylphenyl)spiro[4.5]decane?
The InChIKey is APFWDJWTYGCGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30/c1-19(2,3)18-8-6-7-17(15-18)16-9-13-20(14-10-16)11-4-5-12-20/h6-8,15-16H,4-5,9-14H2,1-3H3.
What are the key properties of 8-(3-tert-butylphenyl)spiro[4.5]decane?
8-(3-tert-butylphenyl)spiro[4.5]decane has a molecular weight of 270.46 g/mol, XLogP of 6.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-tert-butylphenyl)spiro[4.5]decane is sourced from PubChem (CID 90870851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).