11-(2,3-dimethylbutan-2-yl)-4,5,5,7,8,12-hexamethyltricyclo[10.1.1.02,4]tetradec-1(13)-ene

C26H46 — CID 91275461

IUPAC11-(2,3-dimethylbutan-2-yl)-4,5,5,7,8,12-hexamethyltricyclo[10.1.1.02,4]tetradec-1(13)-ene
SMILESCC1CCC(C(C)(C)C(C)C)C2(C)C=C(C2)C2CC2(C)C(C)(C)CC1C
InChIInChI=1S/C26H46/c1-17(2)24(7,8)22-12-11-18(3)19(4)13-23(5,6)26(10)16-21(26)20-14-25(22,9)15-20/h14,17-19,21-22H,11-13,15-16H2,1-10H3
InChIKeyLOUKLKMCLIUNPF-UHFFFAOYSA-N
MW358.65 g/mol
LogP8.13
Rot. Bonds2

About 11-(2,3-dimethylbutan-2-yl)-4,5,5,7,8,12-hexamethyltricyclo[10.1.1.02,4]tetradec-1(13)-ene

11-(2,3-dimethylbutan-2-yl)-4,5,5,7,8,12-hexamethyltricyclo[10.1.1.02,4]tetradec-1(13)-ene (PubChem CID 91275461) has the molecular formula C26H46 and a molecular weight of 358.65 g/mol. Its IUPAC name is 11-(2,3-dimethylbutan-2-yl)-4,5,5,7,8,12-hexamethyltricyclo[10.1.1.02,4]tetradec-1(13)-ene.

Molecular Properties

Compound Name11-(2,3-dimethylbutan-2-yl)-4,5,5,7,8,12-hexamethyltricyclo[10.1.1.02,4]tetradec-1(13)-ene
PubChem CID91275461
Molecular FormulaC26H46
Molecular Weight358.65 g/mol
Exact Mass358.36
IUPAC Name11-(2,3-dimethylbutan-2-yl)-4,5,5,7,8,12-hexamethyltricyclo[10.1.1.02,4]tetradec-1(13)-ene
SMILESCC1CCC(C(C)(C)C(C)C)C2(C)C=C(C2)C2CC2(C)C(C)(C)CC1C
InChIInChI=1S/C26H46/c1-17(2)24(7,8)22-12-11-18(3)19(4)13-23(5,6)26(10)16-21(26)20-14-25(22,9)15-20/h14,17-19,21-22H,11-13,15-16H2,1-10H3
InChIKeyLOUKLKMCLIUNPF-UHFFFAOYSA-N
XLogP8.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.65
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dimethylbutan-2-yl)-4-methylbicyclo[3.2.0]heptane
CID 123217578
1,2-dimethylcyclobutane;2-methylpropane
CID 143728444
ethane;1,3,4-trimethyl-1-propan-2-ylcyclohexane
CID 177218946
4-(2,3-dimethylbutan-2-yl)-1,1-dimethylcyclohexane
CID 142139515
2-[3-(2,3-dimethylbutan-2-yl)-1-methylcyclopentyl]cyclopenta-1,3-diene
CID 87360385
2-[2,2-dimethyl-1-(2,2,3-trimethylbutyl)cyclopropyl]-1,3-dimethylcyclopentane
CID 123589793
3-(2,3-dimethylbutan-2-yl)-1,2-dimethyl-1-propylcyclobutane
CID 123889417
1,3,4-trimethyl-1-(3-methylbutan-2-yl)cyclopentane
CID 123227883
2-(2,3-dimethylbutan-2-yl)-5-methylcyclohexan-1-ol
CID 64766518
3-(3,4-dimethylcyclohexyl)-5,5-dimethylcyclohex-2-en-1-ol
CID 65177314
1-tert-butyl-2-[2,6-di(propan-2-yl)phenyl]-3,3,9-trimethyl-6-propan-2-yl-2-azaspiro[4.5]decane
CID 171439150
2-methyl-1-(2-methylcyclobutyl)propane-1,1-diol
CID 123965421

Frequently Asked Questions

What is the IUPAC name of 11-(2,3-dimethylbutan-2-yl)-4,5,5,7,8,12-hexamethyltricyclo[10.1.1.02,4]tetradec-1(13)-ene?
The IUPAC name of 11-(2,3-dimethylbutan-2-yl)-4,5,5,7,8,12-hexamethyltricyclo[10.1.1.02,4]tetradec-1(13)-ene (CID 91275461) is 11-(2,3-dimethylbutan-2-yl)-4,5,5,7,8,12-hexamethyltricyclo[10.1.1.02,4]tetradec-1(13)-ene.
What is the SMILES notation for 11-(2,3-dimethylbutan-2-yl)-4,5,5,7,8,12-hexamethyltricyclo[10.1.1.02,4]tetradec-1(13)-ene?
The canonical SMILES for 11-(2,3-dimethylbutan-2-yl)-4,5,5,7,8,12-hexamethyltricyclo[10.1.1.02,4]tetradec-1(13)-ene is CC1CCC(C(C)(C)C(C)C)C2(C)C=C(C2)C2CC2(C)C(C)(C)CC1C.
What is the InChIKey of 11-(2,3-dimethylbutan-2-yl)-4,5,5,7,8,12-hexamethyltricyclo[10.1.1.02,4]tetradec-1(13)-ene?
The InChIKey is LOUKLKMCLIUNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46/c1-17(2)24(7,8)22-12-11-18(3)19(4)13-23(5,6)26(10)16-21(26)20-14-25(22,9)15-20/h14,17-19,21-22H,11-13,15-16H2,1-10H3.
What are the key properties of 11-(2,3-dimethylbutan-2-yl)-4,5,5,7,8,12-hexamethyltricyclo[10.1.1.02,4]tetradec-1(13)-ene?
11-(2,3-dimethylbutan-2-yl)-4,5,5,7,8,12-hexamethyltricyclo[10.1.1.02,4]tetradec-1(13)-ene has a molecular weight of 358.65 g/mol, XLogP of 8.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,3-dimethylbutan-2-yl)-4,5,5,7,8,12-hexamethyltricyclo[10.1.1.02,4]tetradec-1(13)-ene is sourced from PubChem (CID 91275461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).