2,6,7-trimethylocta-4,5-dien-3-ol

C11H20O — CID 12555442

IUPAC2,6,7-trimethylocta-4,5-dien-3-ol
SMILESCC(=C=CC(O)C(C)C)C(C)C
InChIInChI=1S/C11H20O/c1-8(2)10(5)6-7-11(12)9(3)4/h7-9,11-12H,1-5H3
InChIKeyJQRWKQOAPKBOBA-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.76
Rot. Bonds3

About 2,6,7-trimethylocta-4,5-dien-3-ol

2,6,7-trimethylocta-4,5-dien-3-ol (PubChem CID 12555442) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2,6,7-trimethylocta-4,5-dien-3-ol.

Molecular Properties

Compound Name2,6,7-trimethylocta-4,5-dien-3-ol
PubChem CID12555442
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2,6,7-trimethylocta-4,5-dien-3-ol
SMILESCC(=C=CC(O)C(C)C)C(C)C
InChIInChI=1S/C11H20O/c1-8(2)10(5)6-7-11(12)9(3)4/h7-9,11-12H,1-5H3
InChIKeyJQRWKQOAPKBOBA-UHFFFAOYSA-N
XLogP2.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6,7-trimethylocta-4,5-dien-3-ol?
The IUPAC name of 2,6,7-trimethylocta-4,5-dien-3-ol (CID 12555442) is 2,6,7-trimethylocta-4,5-dien-3-ol.
What is the SMILES notation for 2,6,7-trimethylocta-4,5-dien-3-ol?
The canonical SMILES for 2,6,7-trimethylocta-4,5-dien-3-ol is CC(=C=CC(O)C(C)C)C(C)C.
What is the InChIKey of 2,6,7-trimethylocta-4,5-dien-3-ol?
The InChIKey is JQRWKQOAPKBOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-8(2)10(5)6-7-11(12)9(3)4/h7-9,11-12H,1-5H3.
What are the key properties of 2,6,7-trimethylocta-4,5-dien-3-ol?
2,6,7-trimethylocta-4,5-dien-3-ol has a molecular weight of 168.28 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trimethylocta-4,5-dien-3-ol is sourced from PubChem (CID 12555442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).