2,3,6,8,11-pentamethyltetradecylcyclobutane

C23H46 — CID 123722303

IUPAC2,3,6,8,11-pentamethyltetradecylcyclobutane
SMILESCCCC(C)CCC(C)CC(C)CCC(C)C(C)CC1CCC1
InChIInChI=1S/C23H46/c1-7-9-18(2)12-13-19(3)16-20(4)14-15-21(5)22(6)17-23-10-8-11-23/h18-23H,7-17H2,1-6H3
InChIKeyXEZDRLGUPUHSLV-UHFFFAOYSA-N
MW322.62 g/mol
LogP8.11
Rot. Bonds13

About 2,3,6,8,11-pentamethyltetradecylcyclobutane

2,3,6,8,11-pentamethyltetradecylcyclobutane (PubChem CID 123722303) has the molecular formula C23H46 and a molecular weight of 322.62 g/mol. Its IUPAC name is 2,3,6,8,11-pentamethyltetradecylcyclobutane.

Molecular Properties

Compound Name2,3,6,8,11-pentamethyltetradecylcyclobutane
PubChem CID123722303
Molecular FormulaC23H46
Molecular Weight322.62 g/mol
Exact Mass322.36
IUPAC Name2,3,6,8,11-pentamethyltetradecylcyclobutane
SMILESCCCC(C)CCC(C)CC(C)CCC(C)C(C)CC1CCC1
InChIInChI=1S/C23H46/c1-7-9-18(2)12-13-19(3)16-20(4)14-15-21(5)22(6)17-23-10-8-11-23/h18-23H,7-17H2,1-6H3
InChIKeyXEZDRLGUPUHSLV-UHFFFAOYSA-N
XLogP8.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.62
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-bis(2-methylpentyl)cyclohexane;methane
CID 173426658
(1-cyclohexyl-4-methylheptan-2-yl)hydrazine
CID 105298143
1-cyclobutyl-3-methylhexan-1-ol
CID 64986952
1-cyclobutyl-3-methylhexan-2-ol
CID 115802415
2-propylpentylcyclobutane
CID 123848725
2,4,5,8-tetramethylundecane
CID 123839422
2-propan-2-ylpentylcyclobutane
CID 161147859
2-(cyclopropylmethyl)pentylcyclobutane
CID 57282892
(10-methyl-2,4-dipropylhexadecyl)cyclobutane
CID 123528553
3,4,10-trimethyltridec-7-enylcyclobutane
CID 91310589
4,5,7-trimethyldecane
CID 57490926
[4-(2-methylpentyl)cyclohexyl]methanol
CID 129166925

Frequently Asked Questions

What is the IUPAC name of 2,3,6,8,11-pentamethyltetradecylcyclobutane?
The IUPAC name of 2,3,6,8,11-pentamethyltetradecylcyclobutane (CID 123722303) is 2,3,6,8,11-pentamethyltetradecylcyclobutane.
What is the SMILES notation for 2,3,6,8,11-pentamethyltetradecylcyclobutane?
The canonical SMILES for 2,3,6,8,11-pentamethyltetradecylcyclobutane is CCCC(C)CCC(C)CC(C)CCC(C)C(C)CC1CCC1.
What is the InChIKey of 2,3,6,8,11-pentamethyltetradecylcyclobutane?
The InChIKey is XEZDRLGUPUHSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46/c1-7-9-18(2)12-13-19(3)16-20(4)14-15-21(5)22(6)17-23-10-8-11-23/h18-23H,7-17H2,1-6H3.
What are the key properties of 2,3,6,8,11-pentamethyltetradecylcyclobutane?
2,3,6,8,11-pentamethyltetradecylcyclobutane has a molecular weight of 322.62 g/mol, XLogP of 8.11, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,8,11-pentamethyltetradecylcyclobutane is sourced from PubChem (CID 123722303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).