(E)-3,7-dimethyloct-5-en-2-ol

C10H20O — CID 138394974

IUPAC(E)-3,7-dimethyloct-5-en-2-ol
SMILESCC(C)/C=C/CC(C)C(C)O
InChIInChI=1S/C10H20O/c1-8(2)6-5-7-9(3)10(4)11/h5-6,8-11H,7H2,1-4H3/b6-5+
InChIKeyUBNPKCAIEJSMTG-AATRIKPKSA-N
MW156.27 g/mol
LogP2.61
Rot. Bonds4

About (E)-3,7-dimethyloct-5-en-2-ol

(E)-3,7-dimethyloct-5-en-2-ol (PubChem CID 138394974) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (E)-3,7-dimethyloct-5-en-2-ol.

Molecular Properties

Compound Name(E)-3,7-dimethyloct-5-en-2-ol
PubChem CID138394974
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(E)-3,7-dimethyloct-5-en-2-ol
SMILESCC(C)/C=C/CC(C)C(C)O
InChIInChI=1S/C10H20O/c1-8(2)6-5-7-9(3)10(4)11/h5-6,8-11H,7H2,1-4H3/b6-5+
InChIKeyUBNPKCAIEJSMTG-AATRIKPKSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.61
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 (E)-3,7-dimethyloct-5-en-2-ol?
The IUPAC name of (E)-3,7-dimethyloct-5-en-2-ol (CID 138394974) is (E)-3,7-dimethyloct-5-en-2-ol.
What is the SMILES notation for (E)-3,7-dimethyloct-5-en-2-ol?
The canonical SMILES for (E)-3,7-dimethyloct-5-en-2-ol is CC(C)/C=C/CC(C)C(C)O.
What is the InChIKey of (E)-3,7-dimethyloct-5-en-2-ol?
The InChIKey is UBNPKCAIEJSMTG-AATRIKPKSA-N. The full InChI is InChI=1S/C10H20O/c1-8(2)6-5-7-9(3)10(4)11/h5-6,8-11H,7H2,1-4H3/b6-5+.
What are the key properties of (E)-3,7-dimethyloct-5-en-2-ol?
(E)-3,7-dimethyloct-5-en-2-ol has a molecular weight of 156.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,7-dimethyloct-5-en-2-ol is sourced from PubChem (CID 138394974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).