2,4,4,5,5,6,7,7,8,8,10-undecamethylundecan-2-ol

C22H46O — CID 91161387

IUPAC2,4,4,5,5,6,7,7,8,8,10-undecamethylundecan-2-ol
SMILESCC(C)CC(C)(C)C(C)(C)C(C)C(C)(C)C(C)(C)CC(C)(C)O
InChIInChI=1S/C22H46O/c1-16(2)14-18(4,5)21(10,11)17(3)22(12,13)19(6,7)15-20(8,9)23/h16-17,23H,14-15H2,1-13H3
InChIKeyNLRWTPTVIUKAEW-UHFFFAOYSA-N
MW326.61 g/mol
LogP6.93
Rot. Bonds8

About 2,4,4,5,5,6,7,7,8,8,10-undecamethylundecan-2-ol

2,4,4,5,5,6,7,7,8,8,10-undecamethylundecan-2-ol (PubChem CID 91161387) has the molecular formula C22H46O and a molecular weight of 326.61 g/mol. Its IUPAC name is 2,4,4,5,5,6,7,7,8,8,10-undecamethylundecan-2-ol.

Molecular Properties

Compound Name2,4,4,5,5,6,7,7,8,8,10-undecamethylundecan-2-ol
PubChem CID91161387
Molecular FormulaC22H46O
Molecular Weight326.61 g/mol
Exact Mass326.35
IUPAC Name2,4,4,5,5,6,7,7,8,8,10-undecamethylundecan-2-ol
SMILESCC(C)CC(C)(C)C(C)(C)C(C)C(C)(C)C(C)(C)CC(C)(C)O
InChIInChI=1S/C22H46O/c1-16(2)14-18(4,5)21(10,11)17(3)22(12,13)19(6,7)15-20(8,9)23/h16-17,23H,14-15H2,1-13H3
InChIKeyNLRWTPTVIUKAEW-UHFFFAOYSA-N
XLogP6.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.61
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,4,5,5,6,7,7,8,8,10-undecamethylundecan-2-ol?
The IUPAC name of 2,4,4,5,5,6,7,7,8,8,10-undecamethylundecan-2-ol (CID 91161387) is 2,4,4,5,5,6,7,7,8,8,10-undecamethylundecan-2-ol.
What is the SMILES notation for 2,4,4,5,5,6,7,7,8,8,10-undecamethylundecan-2-ol?
The canonical SMILES for 2,4,4,5,5,6,7,7,8,8,10-undecamethylundecan-2-ol is CC(C)CC(C)(C)C(C)(C)C(C)C(C)(C)C(C)(C)CC(C)(C)O.
What is the InChIKey of 2,4,4,5,5,6,7,7,8,8,10-undecamethylundecan-2-ol?
The InChIKey is NLRWTPTVIUKAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O/c1-16(2)14-18(4,5)21(10,11)17(3)22(12,13)19(6,7)15-20(8,9)23/h16-17,23H,14-15H2,1-13H3.
What are the key properties of 2,4,4,5,5,6,7,7,8,8,10-undecamethylundecan-2-ol?
2,4,4,5,5,6,7,7,8,8,10-undecamethylundecan-2-ol has a molecular weight of 326.61 g/mol, XLogP of 6.93, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5,5,6,7,7,8,8,10-undecamethylundecan-2-ol is sourced from PubChem (CID 91161387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).