2-(4,4-dimethylpent-2-enyl)-5,7,7-trimethyloctan-1-ol

C18H36O — CID 168877642

IUPAC2-(4,4-dimethylpent-2-enyl)-5,7,7-trimethyloctan-1-ol
SMILESCC(CCC(CO)CC=CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C18H36O/c1-15(13-18(5,6)7)10-11-16(14-19)9-8-12-17(2,3)4/h8,12,15-16,19H,9-11,13-14H2,1-7H3
InChIKeyPLCGWGGIGFVKTE-UHFFFAOYSA-N
MW268.48 g/mol
LogP5.44
Rot. Bonds7

About 2-(4,4-dimethylpent-2-enyl)-5,7,7-trimethyloctan-1-ol

2-(4,4-dimethylpent-2-enyl)-5,7,7-trimethyloctan-1-ol (PubChem CID 168877642) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is 2-(4,4-dimethylpent-2-enyl)-5,7,7-trimethyloctan-1-ol.

Molecular Properties

Compound Name2-(4,4-dimethylpent-2-enyl)-5,7,7-trimethyloctan-1-ol
PubChem CID168877642
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Name2-(4,4-dimethylpent-2-enyl)-5,7,7-trimethyloctan-1-ol
SMILESCC(CCC(CO)CC=CC(C)(C)C)CC(C)(C)C
InChIInChI=1S/C18H36O/c1-15(13-18(5,6)7)10-11-16(14-19)9-8-12-17(2,3)4/h8,12,15-16,19H,9-11,13-14H2,1-7H3
InChIKeyPLCGWGGIGFVKTE-UHFFFAOYSA-N
XLogP5.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,6,8,8-pentamethylnon-3-ene
CID 140692127
2-amino-5,7,7-trimethyloctan-1-ol
CID 170891955
2-amino-6,8,8-trimethylnonane-1,3-diol
CID 154946072
4,8,8-trimethylnona-1,6-diene
CID 173093207
2,2,4,8,10,10-hexamethylundecane
CID 54023173
2-(2,2-dimethylpropyl)butane-1,4-diol
CID 140997808
ethane;2,2,4,6,6-pentamethylheptane
CID 142211592
4,4-dimethyl-2-propylpentan-1-ol
CID 87272554
6,8,8-trimethylnon-1-ene
CID 55273877
2,3,7,7-tetramethylocta-1,5-diene
CID 54573409
(E,3R)-3,7-dimethyloct-5-ene-1,7-diol
CID 14866289
2-(3,5,5-trimethylhexoxy)ethanol
CID 54373855

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpent-2-enyl)-5,7,7-trimethyloctan-1-ol?
The IUPAC name of 2-(4,4-dimethylpent-2-enyl)-5,7,7-trimethyloctan-1-ol (CID 168877642) is 2-(4,4-dimethylpent-2-enyl)-5,7,7-trimethyloctan-1-ol.
What is the SMILES notation for 2-(4,4-dimethylpent-2-enyl)-5,7,7-trimethyloctan-1-ol?
The canonical SMILES for 2-(4,4-dimethylpent-2-enyl)-5,7,7-trimethyloctan-1-ol is CC(CCC(CO)CC=CC(C)(C)C)CC(C)(C)C.
What is the InChIKey of 2-(4,4-dimethylpent-2-enyl)-5,7,7-trimethyloctan-1-ol?
The InChIKey is PLCGWGGIGFVKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O/c1-15(13-18(5,6)7)10-11-16(14-19)9-8-12-17(2,3)4/h8,12,15-16,19H,9-11,13-14H2,1-7H3.
What are the key properties of 2-(4,4-dimethylpent-2-enyl)-5,7,7-trimethyloctan-1-ol?
2-(4,4-dimethylpent-2-enyl)-5,7,7-trimethyloctan-1-ol has a molecular weight of 268.48 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpent-2-enyl)-5,7,7-trimethyloctan-1-ol is sourced from PubChem (CID 168877642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).