8-butan-2-yl-2,4,5,6,7,13-hexamethyltricyclo[7.2.2.04,10]tridecane

C23H42 — CID 123162551

IUPAC8-butan-2-yl-2,4,5,6,7,13-hexamethyltricyclo[7.2.2.04,10]tridecane
SMILESCCC(C)C1C(C)C(C)C(C)C2(C)CC(C)C3CC(C)C1C2C3
InChIInChI=1S/C23H42/c1-9-13(2)21-17(6)16(5)18(7)23(8)12-15(4)19-10-14(3)22(21)20(23)11-19/h13-22H,9-12H2,1-8H3
InChIKeySZALWOXFTRRCBJ-UHFFFAOYSA-N
MW318.59 g/mol
LogP6.90
Rot. Bonds2

About 8-butan-2-yl-2,4,5,6,7,13-hexamethyltricyclo[7.2.2.04,10]tridecane

8-butan-2-yl-2,4,5,6,7,13-hexamethyltricyclo[7.2.2.04,10]tridecane (PubChem CID 123162551) has the molecular formula C23H42 and a molecular weight of 318.59 g/mol. Its IUPAC name is 8-butan-2-yl-2,4,5,6,7,13-hexamethyltricyclo[7.2.2.04,10]tridecane.

Molecular Properties

Compound Name8-butan-2-yl-2,4,5,6,7,13-hexamethyltricyclo[7.2.2.04,10]tridecane
PubChem CID123162551
Molecular FormulaC23H42
Molecular Weight318.59 g/mol
Exact Mass318.33
IUPAC Name8-butan-2-yl-2,4,5,6,7,13-hexamethyltricyclo[7.2.2.04,10]tridecane
SMILESCCC(C)C1C(C)C(C)C(C)C2(C)CC(C)C3CC(C)C1C2C3
InChIInChI=1S/C23H42/c1-9-13(2)21-17(6)16(5)18(7)23(8)12-15(4)19-10-14(3)22(21)20(23)11-19/h13-22H,9-12H2,1-8H3
InChIKeySZALWOXFTRRCBJ-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.59
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 8-butan-2-yl-2,4,5,6,7,13-hexamethyltricyclo[7.2.2.04,10]tridecane with MolForge

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Related Compounds

2-butan-2-yl-1,3,5-trimethylcyclohexane
CID 90972647
2-butan-2-yl-1,3-dimethylcyclopentane
CID 90760041
2-butan-2-yl-1,3-dimethylcyclohexane
CID 123219049
2-butan-2-yl-3-ethyl-5-methylcyclopentan-1-amine
CID 155282268
2-butan-2-yl-1-methyl-3-(3-methylpentan-2-yl)cyclobutane
CID 90870897
(1R,2R,4S,5R)-4,5-dimethyltricyclo[4.1.0.02,4]heptane
CID 163487184
1-(2-butan-2-ylcyclopropyl)-1,2-dimethylcyclopropane
CID 90766244
4-butan-2-yl-1,1,3-trimethylcyclohexane
CID 142412996
1-butan-2-yl-3,4-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 123302694
3,5,9,10-tetramethyltricyclo[5.4.1.04,12]dodecane
CID 123629229
1-butan-2-yl-2-heptan-2-yl-3-methylcyclopropane
CID 123947517
1,2,5,10-tetramethyl-3-propan-2-yl-4-propyltricyclo[5.2.1.03,8]decane
CID 123140355

Frequently Asked Questions

What is the IUPAC name of 8-butan-2-yl-2,4,5,6,7,13-hexamethyltricyclo[7.2.2.04,10]tridecane?
The IUPAC name of 8-butan-2-yl-2,4,5,6,7,13-hexamethyltricyclo[7.2.2.04,10]tridecane (CID 123162551) is 8-butan-2-yl-2,4,5,6,7,13-hexamethyltricyclo[7.2.2.04,10]tridecane.
What is the SMILES notation for 8-butan-2-yl-2,4,5,6,7,13-hexamethyltricyclo[7.2.2.04,10]tridecane?
The canonical SMILES for 8-butan-2-yl-2,4,5,6,7,13-hexamethyltricyclo[7.2.2.04,10]tridecane is CCC(C)C1C(C)C(C)C(C)C2(C)CC(C)C3CC(C)C1C2C3.
What is the InChIKey of 8-butan-2-yl-2,4,5,6,7,13-hexamethyltricyclo[7.2.2.04,10]tridecane?
The InChIKey is SZALWOXFTRRCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42/c1-9-13(2)21-17(6)16(5)18(7)23(8)12-15(4)19-10-14(3)22(21)20(23)11-19/h13-22H,9-12H2,1-8H3.
What are the key properties of 8-butan-2-yl-2,4,5,6,7,13-hexamethyltricyclo[7.2.2.04,10]tridecane?
8-butan-2-yl-2,4,5,6,7,13-hexamethyltricyclo[7.2.2.04,10]tridecane has a molecular weight of 318.59 g/mol, XLogP of 6.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butan-2-yl-2,4,5,6,7,13-hexamethyltricyclo[7.2.2.04,10]tridecane is sourced from PubChem (CID 123162551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).