4,6,10-trimethyl-9-(3-methylhexan-2-yl)-3-pentan-2-yltetracyclo[5.4.0.02,5.08,11]undecane

C26H46 — CID 123145651

IUPAC4,6,10-trimethyl-9-(3-methylhexan-2-yl)-3-pentan-2-yltetracyclo[5.4.0.02,5.08,11]undecane
SMILESCCCC(C)C(C)C1C(C)C2C1C1C(C)C3C(C)C(C(C)CCC)C3C21
InChIInChI=1S/C26H46/c1-9-11-13(3)15(5)20-17(7)22-25(20)23-18(8)21-16(6)19(14(4)12-10-2)24(21)26(22)23/h13-26H,9-12H2,1-8H3
InChIKeyILQHACCJZJFUHD-UHFFFAOYSA-N
MW358.65 g/mol
LogP7.39
Rot. Bonds7

About 4,6,10-trimethyl-9-(3-methylhexan-2-yl)-3-pentan-2-yltetracyclo[5.4.0.02,5.08,11]undecane

4,6,10-trimethyl-9-(3-methylhexan-2-yl)-3-pentan-2-yltetracyclo[5.4.0.02,5.08,11]undecane (PubChem CID 123145651) has the molecular formula C26H46 and a molecular weight of 358.65 g/mol. Its IUPAC name is 4,6,10-trimethyl-9-(3-methylhexan-2-yl)-3-pentan-2-yltetracyclo[5.4.0.02,5.08,11]undecane.

Molecular Properties

Compound Name4,6,10-trimethyl-9-(3-methylhexan-2-yl)-3-pentan-2-yltetracyclo[5.4.0.02,5.08,11]undecane
PubChem CID123145651
Molecular FormulaC26H46
Molecular Weight358.65 g/mol
Exact Mass358.36
IUPAC Name4,6,10-trimethyl-9-(3-methylhexan-2-yl)-3-pentan-2-yltetracyclo[5.4.0.02,5.08,11]undecane
SMILESCCCC(C)C(C)C1C(C)C2C1C1C(C)C3C(C)C(C(C)CCC)C3C21
InChIInChI=1S/C26H46/c1-9-11-13(3)15(5)20-17(7)22-25(20)23-18(8)21-16(6)19(14(4)12-10-2)24(21)26(22)23/h13-26H,9-12H2,1-8H3
InChIKeyILQHACCJZJFUHD-UHFFFAOYSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.65
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,6,10-trimethyl-9-(3-methylhexan-2-yl)-3-pentan-2-yltetracyclo[5.4.0.02,5.08,11]undecane?
The IUPAC name of 4,6,10-trimethyl-9-(3-methylhexan-2-yl)-3-pentan-2-yltetracyclo[5.4.0.02,5.08,11]undecane (CID 123145651) is 4,6,10-trimethyl-9-(3-methylhexan-2-yl)-3-pentan-2-yltetracyclo[5.4.0.02,5.08,11]undecane.
What is the SMILES notation for 4,6,10-trimethyl-9-(3-methylhexan-2-yl)-3-pentan-2-yltetracyclo[5.4.0.02,5.08,11]undecane?
The canonical SMILES for 4,6,10-trimethyl-9-(3-methylhexan-2-yl)-3-pentan-2-yltetracyclo[5.4.0.02,5.08,11]undecane is CCCC(C)C(C)C1C(C)C2C1C1C(C)C3C(C)C(C(C)CCC)C3C21.
What is the InChIKey of 4,6,10-trimethyl-9-(3-methylhexan-2-yl)-3-pentan-2-yltetracyclo[5.4.0.02,5.08,11]undecane?
The InChIKey is ILQHACCJZJFUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46/c1-9-11-13(3)15(5)20-17(7)22-25(20)23-18(8)21-16(6)19(14(4)12-10-2)24(21)26(22)23/h13-26H,9-12H2,1-8H3.
What are the key properties of 4,6,10-trimethyl-9-(3-methylhexan-2-yl)-3-pentan-2-yltetracyclo[5.4.0.02,5.08,11]undecane?
4,6,10-trimethyl-9-(3-methylhexan-2-yl)-3-pentan-2-yltetracyclo[5.4.0.02,5.08,11]undecane has a molecular weight of 358.65 g/mol, XLogP of 7.39, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,10-trimethyl-9-(3-methylhexan-2-yl)-3-pentan-2-yltetracyclo[5.4.0.02,5.08,11]undecane is sourced from PubChem (CID 123145651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).