(4R,5R)-5,7-dimethylocta-1,6-dien-4-ol

C10H18O — CID 131230710

IUPAC(4R,5R)-5,7-dimethylocta-1,6-dien-4-ol
SMILESC=CC[C@@H](O)[C@H](C)C=C(C)C
InChIInChI=1S/C10H18O/c1-5-6-10(11)9(4)7-8(2)3/h5,7,9-11H,1,6H2,2-4H3/t9-,10-/m1/s1
InChIKeyYUZDFABLZOIMJO-NXEZZACHSA-N
MW154.25 g/mol
LogP2.53
Rot. Bonds4

About (4R,5R)-5,7-dimethylocta-1,6-dien-4-ol

(4R,5R)-5,7-dimethylocta-1,6-dien-4-ol (PubChem CID 131230710) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (4R,5R)-5,7-dimethylocta-1,6-dien-4-ol.

Molecular Properties

Compound Name(4R,5R)-5,7-dimethylocta-1,6-dien-4-ol
PubChem CID131230710
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(4R,5R)-5,7-dimethylocta-1,6-dien-4-ol
SMILESC=CC[C@@H](O)[C@H](C)C=C(C)C
InChIInChI=1S/C10H18O/c1-5-6-10(11)9(4)7-8(2)3/h5,7,9-11H,1,6H2,2-4H3/t9-,10-/m1/s1
InChIKeyYUZDFABLZOIMJO-NXEZZACHSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.53
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 (4R,5R)-5,7-dimethylocta-1,6-dien-4-ol?
The IUPAC name of (4R,5R)-5,7-dimethylocta-1,6-dien-4-ol (CID 131230710) is (4R,5R)-5,7-dimethylocta-1,6-dien-4-ol.
What is the SMILES notation for (4R,5R)-5,7-dimethylocta-1,6-dien-4-ol?
The canonical SMILES for (4R,5R)-5,7-dimethylocta-1,6-dien-4-ol is C=CC[C@@H](O)[C@H](C)C=C(C)C.
What is the InChIKey of (4R,5R)-5,7-dimethylocta-1,6-dien-4-ol?
The InChIKey is YUZDFABLZOIMJO-NXEZZACHSA-N. The full InChI is InChI=1S/C10H18O/c1-5-6-10(11)9(4)7-8(2)3/h5,7,9-11H,1,6H2,2-4H3/t9-,10-/m1/s1.
What are the key properties of (4R,5R)-5,7-dimethylocta-1,6-dien-4-ol?
(4R,5R)-5,7-dimethylocta-1,6-dien-4-ol has a molecular weight of 154.25 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5,7-dimethylocta-1,6-dien-4-ol is sourced from PubChem (CID 131230710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).