3,7-dimethyloct-6-en-1-ol;hydrate

C10H22O2 — CID 74069754

IUPAC3,7-dimethyloct-6-en-1-ol;hydrate
SMILESCC(C)=CCCC(C)CCO.O
InChIInChI=1S/C10H20O.H2O/c1-9(2)5-4-6-10(3)7-8-11;/h5,10-11H,4,6-8H2,1-3H3;1H2
InChIKeyZTCSAUQQZDQMKR-UHFFFAOYSA-N
MW174.28 g/mol
LogP1.93
Rot. Bonds5

About 3,7-dimethyloct-6-en-1-ol;hydrate

3,7-dimethyloct-6-en-1-ol;hydrate (PubChem CID 74069754) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 3,7-dimethyloct-6-en-1-ol;hydrate.

Molecular Properties

Compound Name3,7-dimethyloct-6-en-1-ol;hydrate
PubChem CID74069754
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name3,7-dimethyloct-6-en-1-ol;hydrate
SMILESCC(C)=CCCC(C)CCO.O
InChIInChI=1S/C10H20O.H2O/c1-9(2)5-4-6-10(3)7-8-11;/h5,10-11H,4,6-8H2,1-3H3;1H2
InChIKeyZTCSAUQQZDQMKR-UHFFFAOYSA-N
XLogP1.93
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 51.93
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-6-en-1-ol;hydrate?
The IUPAC name of 3,7-dimethyloct-6-en-1-ol;hydrate (CID 74069754) is 3,7-dimethyloct-6-en-1-ol;hydrate.
What is the SMILES notation for 3,7-dimethyloct-6-en-1-ol;hydrate?
The canonical SMILES for 3,7-dimethyloct-6-en-1-ol;hydrate is CC(C)=CCCC(C)CCO.O.
What is the InChIKey of 3,7-dimethyloct-6-en-1-ol;hydrate?
The InChIKey is ZTCSAUQQZDQMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.H2O/c1-9(2)5-4-6-10(3)7-8-11;/h5,10-11H,4,6-8H2,1-3H3;1H2.
What are the key properties of 3,7-dimethyloct-6-en-1-ol;hydrate?
3,7-dimethyloct-6-en-1-ol;hydrate has a molecular weight of 174.28 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyloct-6-en-1-ol;hydrate is sourced from PubChem (CID 74069754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).