4-butan-2-yl-3,4,7,9-tetramethylundecane

C19H40 — CID 123680374

IUPAC4-butan-2-yl-3,4,7,9-tetramethylundecane
SMILESCCC(C)CC(C)CCC(C)(C(C)CC)C(C)CC
InChIInChI=1S/C19H40/c1-9-15(4)14-16(5)12-13-19(8,17(6)10-2)18(7)11-3/h15-18H,9-14H2,1-8H3
InChIKeyHKSPRKDELMEIKX-UHFFFAOYSA-N
MW268.53 g/mol
LogP6.94
Rot. Bonds10

About 4-butan-2-yl-3,4,7,9-tetramethylundecane

4-butan-2-yl-3,4,7,9-tetramethylundecane (PubChem CID 123680374) has the molecular formula C19H40 and a molecular weight of 268.53 g/mol. Its IUPAC name is 4-butan-2-yl-3,4,7,9-tetramethylundecane.

Molecular Properties

Compound Name4-butan-2-yl-3,4,7,9-tetramethylundecane
PubChem CID123680374
Molecular FormulaC19H40
Molecular Weight268.53 g/mol
Exact Mass268.31
IUPAC Name4-butan-2-yl-3,4,7,9-tetramethylundecane
SMILESCCC(C)CC(C)CCC(C)(C(C)CC)C(C)CC
InChIInChI=1S/C19H40/c1-9-15(4)14-16(5)12-13-19(8,17(6)10-2)18(7)11-3/h15-18H,9-14H2,1-8H3
InChIKeyHKSPRKDELMEIKX-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.53
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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3-Methylpentadecane
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3-Methylheptadecane
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CID 185593

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-3,4,7,9-tetramethylundecane?
The IUPAC name of 4-butan-2-yl-3,4,7,9-tetramethylundecane (CID 123680374) is 4-butan-2-yl-3,4,7,9-tetramethylundecane.
What is the SMILES notation for 4-butan-2-yl-3,4,7,9-tetramethylundecane?
The canonical SMILES for 4-butan-2-yl-3,4,7,9-tetramethylundecane is CCC(C)CC(C)CCC(C)(C(C)CC)C(C)CC.
What is the InChIKey of 4-butan-2-yl-3,4,7,9-tetramethylundecane?
The InChIKey is HKSPRKDELMEIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40/c1-9-15(4)14-16(5)12-13-19(8,17(6)10-2)18(7)11-3/h15-18H,9-14H2,1-8H3.
What are the key properties of 4-butan-2-yl-3,4,7,9-tetramethylundecane?
4-butan-2-yl-3,4,7,9-tetramethylundecane has a molecular weight of 268.53 g/mol, XLogP of 6.94, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-3,4,7,9-tetramethylundecane is sourced from PubChem (CID 123680374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).