4,4,6,8,8-pentamethylnonan-2-ol

C14H30O — CID 156689578

IUPAC4,4,6,8,8-pentamethylnonan-2-ol
SMILESCC(O)CC(C)(C)CC(C)CC(C)(C)C
InChIInChI=1S/C14H30O/c1-11(8-13(3,4)5)9-14(6,7)10-12(2)15/h11-12,15H,8-10H2,1-7H3
InChIKeyDGYOHBAQDNLRSZ-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.25
Rot. Bonds5

About 4,4,6,8,8-pentamethylnonan-2-ol

4,4,6,8,8-pentamethylnonan-2-ol (PubChem CID 156689578) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 4,4,6,8,8-pentamethylnonan-2-ol.

Molecular Properties

Compound Name4,4,6,8,8-pentamethylnonan-2-ol
PubChem CID156689578
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name4,4,6,8,8-pentamethylnonan-2-ol
SMILESCC(O)CC(C)(C)CC(C)CC(C)(C)C
InChIInChI=1S/C14H30O/c1-11(8-13(3,4)5)9-14(6,7)10-12(2)15/h11-12,15H,8-10H2,1-7H3
InChIKeyDGYOHBAQDNLRSZ-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,7-Dimethyl-1-octanol
CID 7792
3,3,5-Trimethylcyclohexanol
CID 8298
2-Butyl-1-octanol
CID 19800
3,7-Dimethyl-1,7-octanediol
CID 249494
4-tert-Butylcyclohexanol
CID 7391
1-Cyclohexylethanol
CID 137829
2,6,8-Trimethyl-4-nonanol
CID 61056
2-Propyl-1-heptanol
CID 24847
Cyclohexanol, 4-(1,1-dimethylpropyl)-
CID 79302
2-tert-Butylcyclohexanol
CID 26068
7-Ethyl-2-methyl-4-undecanol
CID 97948
3-Octanol, 6-ethyl-
CID 140601

Frequently Asked Questions

What is the IUPAC name of 4,4,6,8,8-pentamethylnonan-2-ol?
The IUPAC name of 4,4,6,8,8-pentamethylnonan-2-ol (CID 156689578) is 4,4,6,8,8-pentamethylnonan-2-ol.
What is the SMILES notation for 4,4,6,8,8-pentamethylnonan-2-ol?
The canonical SMILES for 4,4,6,8,8-pentamethylnonan-2-ol is CC(O)CC(C)(C)CC(C)CC(C)(C)C.
What is the InChIKey of 4,4,6,8,8-pentamethylnonan-2-ol?
The InChIKey is DGYOHBAQDNLRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-11(8-13(3,4)5)9-14(6,7)10-12(2)15/h11-12,15H,8-10H2,1-7H3.
What are the key properties of 4,4,6,8,8-pentamethylnonan-2-ol?
4,4,6,8,8-pentamethylnonan-2-ol has a molecular weight of 214.39 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,8,8-pentamethylnonan-2-ol is sourced from PubChem (CID 156689578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).