2,7-dimethylocta-4,5-dien-3-ol

C10H18O — CID 12555436

IUPAC2,7-dimethylocta-4,5-dien-3-ol
SMILESCC(C)C=C=CC(O)C(C)C
InChIInChI=1S/C10H18O/c1-8(2)6-5-7-10(11)9(3)4/h6-11H,1-4H3
InChIKeyBHDUNUKGNMAYFX-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.37
Rot. Bonds3

About 2,7-dimethylocta-4,5-dien-3-ol

2,7-dimethylocta-4,5-dien-3-ol (PubChem CID 12555436) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2,7-dimethylocta-4,5-dien-3-ol.

Molecular Properties

Compound Name2,7-dimethylocta-4,5-dien-3-ol
PubChem CID12555436
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2,7-dimethylocta-4,5-dien-3-ol
SMILESCC(C)C=C=CC(O)C(C)C
InChIInChI=1S/C10H18O/c1-8(2)6-5-7-10(11)9(3)4/h6-11H,1-4H3
InChIKeyBHDUNUKGNMAYFX-UHFFFAOYSA-N
XLogP2.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylocta-4,5-dien-3-ol?
The IUPAC name of 2,7-dimethylocta-4,5-dien-3-ol (CID 12555436) is 2,7-dimethylocta-4,5-dien-3-ol.
What is the SMILES notation for 2,7-dimethylocta-4,5-dien-3-ol?
The canonical SMILES for 2,7-dimethylocta-4,5-dien-3-ol is CC(C)C=C=CC(O)C(C)C.
What is the InChIKey of 2,7-dimethylocta-4,5-dien-3-ol?
The InChIKey is BHDUNUKGNMAYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-8(2)6-5-7-10(11)9(3)4/h6-11H,1-4H3.
What are the key properties of 2,7-dimethylocta-4,5-dien-3-ol?
2,7-dimethylocta-4,5-dien-3-ol has a molecular weight of 154.25 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylocta-4,5-dien-3-ol is sourced from PubChem (CID 12555436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).