(3R)-2,6-dimethylocta-1,5,7-trien-3-ol

C10H16O — CID 162867192

IUPAC(3R)-2,6-dimethylocta-1,5,7-trien-3-ol
SMILESC=CC(C)=CC[C@@H](O)C(=C)C
InChIInChI=1S/C10H16O/c1-5-9(4)6-7-10(11)8(2)3/h5-6,10-11H,1-2,7H2,3-4H3/t10-/m1/s1
InChIKeyTYDDWHVJHGIJCW-SNVBAGLBSA-N
MW152.24 g/mol
LogP2.45
Rot. Bonds4

About (3R)-2,6-dimethylocta-1,5,7-trien-3-ol

(3R)-2,6-dimethylocta-1,5,7-trien-3-ol (PubChem CID 162867192) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (3R)-2,6-dimethylocta-1,5,7-trien-3-ol.

Molecular Properties

Compound Name(3R)-2,6-dimethylocta-1,5,7-trien-3-ol
PubChem CID162867192
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(3R)-2,6-dimethylocta-1,5,7-trien-3-ol
SMILESC=CC(C)=CC[C@@H](O)C(=C)C
InChIInChI=1S/C10H16O/c1-5-9(4)6-7-10(11)8(2)3/h5-6,10-11H,1-2,7H2,3-4H3/t10-/m1/s1
InChIKeyTYDDWHVJHGIJCW-SNVBAGLBSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-2,6-dimethylhepta-1,5-dien-3-ol
CID 12774566
2-methylbuta-1,3-diene;(3E)-3-methylhexa-1,3-diene
CID 173395749
3,7-dimethyl-4-prop-1-en-2-ylnona-1,6,8-trien-3-ol
CID 54454363
(3E)-6-hydroxy-3,7-dimethylocta-3,7-dienal
CID 123615369
3-methylhepta-1,3,6-triene
CID 71444747
(2S,4Z)-2,5-dimethylhepta-4,6-dien-1-amine
CID 89377891
3,6-dimethylhepta-1,3,6-triene
CID 123605214
3-methylpenta-2,4-dien-1-ol
CID 534959
2-methyl-6-methylideneocta-1,7-dien-3-ol
CID 534462
3,6-dimethyldeca-1,3-diene
CID 91478498
dimethyl 2-[(2E)-3-methylpenta-2,4-dienyl]propanedioate
CID 14865541
2,6-dimethylhept-1-en-3-ol
CID 13208265

Frequently Asked Questions

What is the IUPAC name of (3R)-2,6-dimethylocta-1,5,7-trien-3-ol?
The IUPAC name of (3R)-2,6-dimethylocta-1,5,7-trien-3-ol (CID 162867192) is (3R)-2,6-dimethylocta-1,5,7-trien-3-ol.
What is the SMILES notation for (3R)-2,6-dimethylocta-1,5,7-trien-3-ol?
The canonical SMILES for (3R)-2,6-dimethylocta-1,5,7-trien-3-ol is C=CC(C)=CC[C@@H](O)C(=C)C.
What is the InChIKey of (3R)-2,6-dimethylocta-1,5,7-trien-3-ol?
The InChIKey is TYDDWHVJHGIJCW-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H16O/c1-5-9(4)6-7-10(11)8(2)3/h5-6,10-11H,1-2,7H2,3-4H3/t10-/m1/s1.
What are the key properties of (3R)-2,6-dimethylocta-1,5,7-trien-3-ol?
(3R)-2,6-dimethylocta-1,5,7-trien-3-ol has a molecular weight of 152.24 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,6-dimethylocta-1,5,7-trien-3-ol is sourced from PubChem (CID 162867192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).