2,7-dimethylocta-4,6-dien-2-ol

C10H18O — CID 527419

IUPAC2,7-dimethylocta-4,6-dien-2-ol
SMILESCC(C)=CC=CCC(C)(C)O
InChIInChI=1S/C10H18O/c1-9(2)7-5-6-8-10(3,4)11/h5-7,11H,8H2,1-4H3
InChIKeyBYJLIXDKIQTXJA-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.67
Rot. Bonds3

About 2,7-dimethylocta-4,6-dien-2-ol

2,7-dimethylocta-4,6-dien-2-ol (PubChem CID 527419) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2,7-dimethylocta-4,6-dien-2-ol.

Molecular Properties

Compound Name2,7-dimethylocta-4,6-dien-2-ol
PubChem CID527419
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2,7-dimethylocta-4,6-dien-2-ol
SMILESCC(C)=CC=CCC(C)(C)O
InChIInChI=1S/C10H18O/c1-9(2)7-5-6-8-10(3,4)11/h5-7,11H,8H2,1-4H3
InChIKeyBYJLIXDKIQTXJA-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,7-dimethyloct-4-ene-2,7-diol
CID 6536882
2-methylhepta-4,6-dien-2-ol
CID 54228855
(4E,8E)-2-methyldeca-2,4,8-triene
CID 173142496
6-methylhepta-3,5-dien-1-amine
CID 79592244
(4E)-7-methylocta-4,6-dien-1-ol
CID 14250388
(4E)-2,7-dimethylocta-2,4,6-triene
CID 11116127
(4Z,7Z)-2-methylnona-2,4,7-triene
CID 144748240
N-[(4Z,6Z)-2,9-dimethyl-2-propyldeca-4,6,8-trienylidene]-N'-methylmethanimidamide
CID 137383651
(4E,9E)-2,4,12-trimethyltrideca-2,4,9,11-tetraene
CID 10420952
(4E)-3,3,7-trimethylocta-4,6-dien-2-one
CID 101383748
2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,24,26,28,30-tridecaen-2-ol
CID 73229461
(4Z)-2,5,9-trimethyldeca-4,8-dien-2-ol
CID 24976055

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylocta-4,6-dien-2-ol?
The IUPAC name of 2,7-dimethylocta-4,6-dien-2-ol (CID 527419) is 2,7-dimethylocta-4,6-dien-2-ol.
What is the SMILES notation for 2,7-dimethylocta-4,6-dien-2-ol?
The canonical SMILES for 2,7-dimethylocta-4,6-dien-2-ol is CC(C)=CC=CCC(C)(C)O.
What is the InChIKey of 2,7-dimethylocta-4,6-dien-2-ol?
The InChIKey is BYJLIXDKIQTXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-9(2)7-5-6-8-10(3,4)11/h5-7,11H,8H2,1-4H3.
What are the key properties of 2,7-dimethylocta-4,6-dien-2-ol?
2,7-dimethylocta-4,6-dien-2-ol has a molecular weight of 154.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylocta-4,6-dien-2-ol is sourced from PubChem (CID 527419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).