3,7-dimethyloct-7-en-3-ol

C10H20O — CID 557859

IUPAC3,7-dimethyloct-7-en-3-ol
SMILESC=C(C)CCCC(C)(O)CC
InChIInChI=1S/C10H20O/c1-5-10(4,11)8-6-7-9(2)3/h11H,2,5-8H2,1,3-4H3
InChIKeyZUNWNXABIHDLFJ-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.89
Rot. Bonds5

About 3,7-dimethyloct-7-en-3-ol

3,7-dimethyloct-7-en-3-ol (PubChem CID 557859) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 3,7-dimethyloct-7-en-3-ol.

Molecular Properties

Compound Name3,7-dimethyloct-7-en-3-ol
PubChem CID557859
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name3,7-dimethyloct-7-en-3-ol
SMILESC=C(C)CCCC(C)(O)CC
InChIInChI=1S/C10H20O/c1-5-10(4,11)8-6-7-9(2)3/h11H,2,5-8H2,1,3-4H3
InChIKeyZUNWNXABIHDLFJ-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyloct-7-en-3-ol?
The IUPAC name of 3,7-dimethyloct-7-en-3-ol (CID 557859) is 3,7-dimethyloct-7-en-3-ol.
What is the SMILES notation for 3,7-dimethyloct-7-en-3-ol?
The canonical SMILES for 3,7-dimethyloct-7-en-3-ol is C=C(C)CCCC(C)(O)CC.
What is the InChIKey of 3,7-dimethyloct-7-en-3-ol?
The InChIKey is ZUNWNXABIHDLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-5-10(4,11)8-6-7-9(2)3/h11H,2,5-8H2,1,3-4H3.
What are the key properties of 3,7-dimethyloct-7-en-3-ol?
3,7-dimethyloct-7-en-3-ol has a molecular weight of 156.27 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyloct-7-en-3-ol is sourced from PubChem (CID 557859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).