2,3,6,7,8-pentamethylnonan-3-ol

C14H30O — CID 20659783

IUPAC2,3,6,7,8-pentamethylnonan-3-ol
SMILESCC(C)C(C)C(C)CCC(C)(O)C(C)C
InChIInChI=1S/C14H30O/c1-10(2)13(6)12(5)8-9-14(7,15)11(3)4/h10-13,15H,8-9H2,1-7H3
InChIKeyAQWUVKXUQBFXDF-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.10
Rot. Bonds6

About 2,3,6,7,8-pentamethylnonan-3-ol

2,3,6,7,8-pentamethylnonan-3-ol (PubChem CID 20659783) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 2,3,6,7,8-pentamethylnonan-3-ol.

Molecular Properties

Compound Name2,3,6,7,8-pentamethylnonan-3-ol
PubChem CID20659783
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name2,3,6,7,8-pentamethylnonan-3-ol
SMILESCC(C)C(C)C(C)CCC(C)(O)C(C)C
InChIInChI=1S/C14H30O/c1-10(2)13(6)12(5)8-9-14(7,15)11(3)4/h10-13,15H,8-9H2,1-7H3
InChIKeyAQWUVKXUQBFXDF-UHFFFAOYSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7,8-pentamethylnonan-3-ol?
The IUPAC name of 2,3,6,7,8-pentamethylnonan-3-ol (CID 20659783) is 2,3,6,7,8-pentamethylnonan-3-ol.
What is the SMILES notation for 2,3,6,7,8-pentamethylnonan-3-ol?
The canonical SMILES for 2,3,6,7,8-pentamethylnonan-3-ol is CC(C)C(C)C(C)CCC(C)(O)C(C)C.
What is the InChIKey of 2,3,6,7,8-pentamethylnonan-3-ol?
The InChIKey is AQWUVKXUQBFXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-10(2)13(6)12(5)8-9-14(7,15)11(3)4/h10-13,15H,8-9H2,1-7H3.
What are the key properties of 2,3,6,7,8-pentamethylnonan-3-ol?
2,3,6,7,8-pentamethylnonan-3-ol has a molecular weight of 214.39 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7,8-pentamethylnonan-3-ol is sourced from PubChem (CID 20659783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).