1-(2,3,4,5,6-pentamethylphenyl)nonan-1-ol

C20H34O — CID 65426941

IUPAC1-(2,3,4,5,6-pentamethylphenyl)nonan-1-ol
SMILESCCCCCCCCC(O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C20H34O/c1-7-8-9-10-11-12-13-19(21)20-17(5)15(3)14(2)16(4)18(20)6/h19,21H,7-13H2,1-6H3
InChIKeyHAWIQUJICCSGLY-UHFFFAOYSA-N
MW290.49 g/mol
LogP6.01
Rot. Bonds8

About 1-(2,3,4,5,6-pentamethylphenyl)nonan-1-ol

1-(2,3,4,5,6-pentamethylphenyl)nonan-1-ol (PubChem CID 65426941) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentamethylphenyl)nonan-1-ol.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentamethylphenyl)nonan-1-ol
PubChem CID65426941
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name1-(2,3,4,5,6-pentamethylphenyl)nonan-1-ol
SMILESCCCCCCCCC(O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C20H34O/c1-7-8-9-10-11-12-13-19(21)20-17(5)15(3)14(2)16(4)18(20)6/h19,21H,7-13H2,1-6H3
InChIKeyHAWIQUJICCSGLY-UHFFFAOYSA-N
XLogP6.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 115783388
1-(2,4,6-trimethylphenyl)heptan-1-ol
CID 65148082
1-(4-fluoro-2,6-dimethylphenyl)heptan-1-ol
CID 106879533
1-(1,3,5-trimethylpyrazol-4-yl)decan-1-ol
CID 105084964
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
nonacosane-7,20-diol
CID 174949468
tetracosan-6-ol
CID 154265400
decane;dodecane-1,1-diol
CID 162011285
nonacosane-14,15-diol
CID 91509633
nonacosane-1,1-diol
CID 23066924

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5,6-pentamethylphenyl)nonan-1-ol?
The IUPAC name of 1-(2,3,4,5,6-pentamethylphenyl)nonan-1-ol (CID 65426941) is 1-(2,3,4,5,6-pentamethylphenyl)nonan-1-ol.
What is the SMILES notation for 1-(2,3,4,5,6-pentamethylphenyl)nonan-1-ol?
The canonical SMILES for 1-(2,3,4,5,6-pentamethylphenyl)nonan-1-ol is CCCCCCCCC(O)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of 1-(2,3,4,5,6-pentamethylphenyl)nonan-1-ol?
The InChIKey is HAWIQUJICCSGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-7-8-9-10-11-12-13-19(21)20-17(5)15(3)14(2)16(4)18(20)6/h19,21H,7-13H2,1-6H3.
What are the key properties of 1-(2,3,4,5,6-pentamethylphenyl)nonan-1-ol?
1-(2,3,4,5,6-pentamethylphenyl)nonan-1-ol has a molecular weight of 290.49 g/mol, XLogP of 6.01, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentamethylphenyl)nonan-1-ol is sourced from PubChem (CID 65426941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).