6,6-dimethyloct-1-en-3-ol

C10H20O — CID 175204364

IUPAC6,6-dimethyloct-1-en-3-ol
SMILESC=CC(O)CCC(C)(C)CC
InChIInChI=1S/C10H20O/c1-5-9(11)7-8-10(3,4)6-2/h5,9,11H,1,6-8H2,2-4H3
InChIKeyWYAXLRWTSAYVID-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.75
Rot. Bonds5

About 6,6-dimethyloct-1-en-3-ol

6,6-dimethyloct-1-en-3-ol (PubChem CID 175204364) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 6,6-dimethyloct-1-en-3-ol.

Molecular Properties

Compound Name6,6-dimethyloct-1-en-3-ol
PubChem CID175204364
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name6,6-dimethyloct-1-en-3-ol
SMILESC=CC(O)CCC(C)(C)CC
InChIInChI=1S/C10H20O/c1-5-9(11)7-8-10(3,4)6-2/h5,9,11H,1,6-8H2,2-4H3
InChIKeyWYAXLRWTSAYVID-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.75
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

1,1-difluoro-4,4-dimethylhexane
CID 170227321
3-ethyl-6,6-dimethyloctan-2-ol
CID 156689624
undec-1-en-3-ol
CID 3015762
(3R)-dec-1-en-3-ol
CID 12619485
heptadec-1-en-3-ol
CID 11858939
2,7,7-trimethylnonan-3-ol
CID 162360269
N-ethenyl-N,3,3-trimethylpentan-1-amine
CID 167016680
deca-1,6-dien-3-ol
CID 56622854
non-1-ene-3,7-diol
CID 22245625
2,2,16,16-tetramethylheptadecane-1,9,17-triol;2,2,18,18-tetramethylicosane-1,10-diol
CID 159939869
6,6-dimethyloctane-3-thiol
CID 166858494
undec-10-ene-2,9-diol
CID 174994390

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyloct-1-en-3-ol?
The IUPAC name of 6,6-dimethyloct-1-en-3-ol (CID 175204364) is 6,6-dimethyloct-1-en-3-ol.
What is the SMILES notation for 6,6-dimethyloct-1-en-3-ol?
The canonical SMILES for 6,6-dimethyloct-1-en-3-ol is C=CC(O)CCC(C)(C)CC.
What is the InChIKey of 6,6-dimethyloct-1-en-3-ol?
The InChIKey is WYAXLRWTSAYVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-5-9(11)7-8-10(3,4)6-2/h5,9,11H,1,6-8H2,2-4H3.
What are the key properties of 6,6-dimethyloct-1-en-3-ol?
6,6-dimethyloct-1-en-3-ol has a molecular weight of 156.27 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyloct-1-en-3-ol is sourced from PubChem (CID 175204364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).