5,6,7,8,8-Pentamethylnonan-4-ol

C14H30O — CID 113420

IUPAC5,6,7,8,8-pentamethylnonan-4-ol
SMILESCCCC(C(C)C(C)C(C)C(C)(C)C)O
InChIInChI=1S/C14H30O/c1-8-9-13(15)11(3)10(2)12(4)14(5,6)7/h10-13,15H,8-9H2,1-7H3
InChIKeyJTSNBGFCLZFXNB-UHFFFAOYSA-N
MW214.39 g/mol
LogP5.00
Rot. Bonds6

About 5,6,7,8,8-Pentamethylnonan-4-ol

5,6,7,8,8-Pentamethylnonan-4-ol (PubChem CID 113420) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 5,6,7,8,8-pentamethylnonan-4-ol.

Molecular Properties

Compound Name5,6,7,8,8-Pentamethylnonan-4-ol
PubChem CID113420
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name5,6,7,8,8-pentamethylnonan-4-ol
SMILESCCCC(C(C)C(C)C(C)C(C)(C)C)O
InChIInChI=1S/C14H30O/c1-8-9-13(15)11(3)10(2)12(4)14(5,6)7/h10-13,15H,8-9H2,1-7H3
InChIKeyJTSNBGFCLZFXNB-UHFFFAOYSA-N
XLogP5.00
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity169

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,5-Trimethylcyclohexanol
CID 8298
4-tert-Butylcyclohexanol
CID 7391
2,6,8-Trimethyl-4-nonanol
CID 61056
4-Isopropylcyclohexanol
CID 20739
Cyclohexanol, 4-(1,1-dimethylpropyl)-
CID 79302
2-tert-Butylcyclohexanol
CID 26068
3-Octanol, 6-ethyl-
CID 140601
5-Ethyl-2-nonanol
CID 7634
7-Ethyl-2-methyl-4-undecanol
CID 97948
Cyclohexanepropanol, 2,2,6-trimethyl-alpha-propyl-
CID 116699
2-Methyloctan-3-ol
CID 98464
Tetrahydroionol
CID 107272

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8,8-Pentamethylnonan-4-ol?
The IUPAC name of 5,6,7,8,8-Pentamethylnonan-4-ol (CID 113420) is 5,6,7,8,8-pentamethylnonan-4-ol.
What is the SMILES notation for 5,6,7,8,8-Pentamethylnonan-4-ol?
The canonical SMILES for 5,6,7,8,8-Pentamethylnonan-4-ol is CCCC(C(C)C(C)C(C)C(C)(C)C)O.
What is the InChIKey of 5,6,7,8,8-Pentamethylnonan-4-ol?
The InChIKey is JTSNBGFCLZFXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-8-9-13(15)11(3)10(2)12(4)14(5,6)7/h10-13,15H,8-9H2,1-7H3.
What are the key properties of 5,6,7,8,8-Pentamethylnonan-4-ol?
5,6,7,8,8-Pentamethylnonan-4-ol has a molecular weight of 214.39 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8,8-Pentamethylnonan-4-ol is sourced from PubChem (CID 113420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).