(E)-3,6-dimethyloct-6-en-3-ol

C10H20O — CID 5354591

IUPAC(E)-3,6-dimethyloct-6-en-3-ol
SMILESC/C=C(\C)CCC(C)(O)CC
InChIInChI=1S/C10H20O/c1-5-9(3)7-8-10(4,11)6-2/h5,11H,6-8H2,1-4H3/b9-5+
InChIKeyAFRHFYJZKMQWQJ-WEVVVXLNSA-N
MW156.27 g/mol
LogP2.89
Rot. Bonds4

About (E)-3,6-dimethyloct-6-en-3-ol

(E)-3,6-dimethyloct-6-en-3-ol (PubChem CID 5354591) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (E)-3,6-dimethyloct-6-en-3-ol.

Molecular Properties

Compound Name(E)-3,6-dimethyloct-6-en-3-ol
PubChem CID5354591
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(E)-3,6-dimethyloct-6-en-3-ol
SMILESC/C=C(\C)CCC(C)(O)CC
InChIInChI=1S/C10H20O/c1-5-9(3)7-8-10(4,11)6-2/h5,11H,6-8H2,1-4H3/b9-5+
InChIKeyAFRHFYJZKMQWQJ-WEVVVXLNSA-N
XLogP2.89
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 ≤ 52.89
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 (E)-3,6-dimethyloct-6-en-3-ol?
The IUPAC name of (E)-3,6-dimethyloct-6-en-3-ol (CID 5354591) is (E)-3,6-dimethyloct-6-en-3-ol.
What is the SMILES notation for (E)-3,6-dimethyloct-6-en-3-ol?
The canonical SMILES for (E)-3,6-dimethyloct-6-en-3-ol is C/C=C(\C)CCC(C)(O)CC.
What is the InChIKey of (E)-3,6-dimethyloct-6-en-3-ol?
The InChIKey is AFRHFYJZKMQWQJ-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H20O/c1-5-9(3)7-8-10(4,11)6-2/h5,11H,6-8H2,1-4H3/b9-5+.
What are the key properties of (E)-3,6-dimethyloct-6-en-3-ol?
(E)-3,6-dimethyloct-6-en-3-ol has a molecular weight of 156.27 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,6-dimethyloct-6-en-3-ol is sourced from PubChem (CID 5354591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).