5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane

C17H32 — CID 123932635

IUPAC5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane
SMILESCCCCC(C)C1CC12CC2CCC(C)(C)C
InChIInChI=1S/C17H32/c1-6-7-8-13(2)15-12-17(15)11-14(17)9-10-16(3,4)5/h13-15H,6-12H2,1-5H3
InChIKeyIYHCUIFFVKDQCM-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.67
Rot. Bonds6

About 5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane

5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane (PubChem CID 123932635) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane.

Molecular Properties

Compound Name5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane
PubChem CID123932635
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane
SMILESCCCCC(C)C1CC12CC2CCC(C)(C)C
InChIInChI=1S/C17H32/c1-6-7-8-13(2)15-12-17(15)11-14(17)9-10-16(3,4)5/h13-15H,6-12H2,1-5H3
InChIKeyIYHCUIFFVKDQCM-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 123602815
2,2,7-trimethylundecane
CID 57491501
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CID 123760958
1-ethyl-1-heptan-3-yl-2-(3,3,4-trimethylpentan-2-yl)cyclopropane
CID 123906040
1-hexan-2-yl-2-propan-2-ylcyclopropane
CID 123497501
(1S)-4-hexan-2-yl-2-(hydroxymethyl)-1-methylcyclopentan-1-ol
CID 143523992
2,2-dimethylhexane
CID 169424592
(2S,3R,5S)-5-butylspiro[2.2]pentane-2-carbaldehyde
CID 131231505
2-pentan-2-ylspiro[2.2]pentane
CID 91467438
2,2,5-trimethyldodecane
CID 54169953
azane;2,2-dimethylhexane
CID 161105081
1-butyl-2-(5,5-dimethylhexyl)cyclopropane
CID 140604745

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane?
The IUPAC name of 5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane (CID 123932635) is 5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane.
What is the SMILES notation for 5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane?
The canonical SMILES for 5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane is CCCCC(C)C1CC12CC2CCC(C)(C)C.
What is the InChIKey of 5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane?
The InChIKey is IYHCUIFFVKDQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-6-7-8-13(2)15-12-17(15)11-14(17)9-10-16(3,4)5/h13-15H,6-12H2,1-5H3.
What are the key properties of 5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane?
5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane has a molecular weight of 236.44 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutyl)-2-hexan-2-ylspiro[2.2]pentane is sourced from PubChem (CID 123932635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).