3-butyl-11-(4-butylcyclohexyl)dispiro[5.1.58.16]tetradecane

C28H50 — CID 18633672

IUPAC3-butyl-11-(4-butylcyclohexyl)dispiro[5.1.58.16]tetradecane
SMILESCCCCC1CCC(C2CCC3(CC2)CC2(CCC(CCCC)CC2)C3)CC1
InChIInChI=1S/C28H50/c1-3-5-7-23-9-11-25(12-10-23)26-15-19-28(20-16-26)21-27(22-28)17-13-24(14-18-27)8-6-4-2/h23-26H,3-22H2,1-2H3
InChIKeyLIMJIDSGJHPAGG-UHFFFAOYSA-N
MW386.71 g/mol
LogP9.32
Rot. Bonds7

About 3-butyl-11-(4-butylcyclohexyl)dispiro[5.1.58.16]tetradecane

3-butyl-11-(4-butylcyclohexyl)dispiro[5.1.58.16]tetradecane (PubChem CID 18633672) has the molecular formula C28H50 and a molecular weight of 386.71 g/mol. Its IUPAC name is 3-butyl-11-(4-butylcyclohexyl)dispiro[5.1.58.16]tetradecane.

Molecular Properties

Compound Name3-butyl-11-(4-butylcyclohexyl)dispiro[5.1.58.16]tetradecane
PubChem CID18633672
Molecular FormulaC28H50
Molecular Weight386.71 g/mol
Exact Mass386.39
IUPAC Name3-butyl-11-(4-butylcyclohexyl)dispiro[5.1.58.16]tetradecane
SMILESCCCCC1CCC(C2CCC3(CC2)CC2(CCC(CCCC)CC2)C3)CC1
InChIInChI=1S/C28H50/c1-3-5-7-23-9-11-25(12-10-23)26-15-19-28(20-16-26)21-27(22-28)17-13-24(14-18-27)8-6-4-2/h23-26H,3-22H2,1-2H3
InChIKeyLIMJIDSGJHPAGG-UHFFFAOYSA-N
XLogP9.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.71
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

11-butyl-3-ethyldispiro[5.1.58.16]tetradecane
CID 18633775
3-(4-ethylcyclohexyl)-11-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane;11-(4-octylcyclohexyl)-3-(4-propylcyclohexyl)dispiro[5.1.58.16]tetradecane
CID 161382402
3,11-diheptyldispiro[5.1.58.16]tetradecane
CID 18633606
11-pentyl-3-propyldispiro[5.1.58.16]tetradecane
CID 18633801
1-butyl-4-(4-butylcyclohexyl)-1-methylcyclohexane
CID 18597169
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane
CID 146793992
4-(4-butylcyclohexyl)-1-methyl-1-pentylcyclohexane
CID 18597195
4-(4-butylcyclohexyl)-1-hexyl-1-methylcyclohexane
CID 18597187
11-(4-heptylcyclohexyl)-3-pentyldispiro[5.1.58.16]tetradecan-14-one
CID 18633703
(7R)-3-butyl-11-(4-butylcyclohexyl)-7-fluorodispiro[5.1.58.16]tetradecan-14-one
CID 18633669
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464

Frequently Asked Questions

What is the IUPAC name of 3-butyl-11-(4-butylcyclohexyl)dispiro[5.1.58.16]tetradecane?
The IUPAC name of 3-butyl-11-(4-butylcyclohexyl)dispiro[5.1.58.16]tetradecane (CID 18633672) is 3-butyl-11-(4-butylcyclohexyl)dispiro[5.1.58.16]tetradecane.
What is the SMILES notation for 3-butyl-11-(4-butylcyclohexyl)dispiro[5.1.58.16]tetradecane?
The canonical SMILES for 3-butyl-11-(4-butylcyclohexyl)dispiro[5.1.58.16]tetradecane is CCCCC1CCC(C2CCC3(CC2)CC2(CCC(CCCC)CC2)C3)CC1.
What is the InChIKey of 3-butyl-11-(4-butylcyclohexyl)dispiro[5.1.58.16]tetradecane?
The InChIKey is LIMJIDSGJHPAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50/c1-3-5-7-23-9-11-25(12-10-23)26-15-19-28(20-16-26)21-27(22-28)17-13-24(14-18-27)8-6-4-2/h23-26H,3-22H2,1-2H3.
What are the key properties of 3-butyl-11-(4-butylcyclohexyl)dispiro[5.1.58.16]tetradecane?
3-butyl-11-(4-butylcyclohexyl)dispiro[5.1.58.16]tetradecane has a molecular weight of 386.71 g/mol, XLogP of 9.32, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-11-(4-butylcyclohexyl)dispiro[5.1.58.16]tetradecane is sourced from PubChem (CID 18633672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).