2,6-dimethyloct-7-en-3-ol

C10H20O — CID 565253

IUPAC2,6-dimethyloct-7-en-3-ol
SMILESC=CC(C)CCC(O)C(C)C
InChIInChI=1S/C10H20O/c1-5-9(4)6-7-10(11)8(2)3/h5,8-11H,1,6-7H2,2-4H3
InChIKeyQBRDZEOXRCJJJS-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.61
Rot. Bonds5

About 2,6-dimethyloct-7-en-3-ol

2,6-dimethyloct-7-en-3-ol (PubChem CID 565253) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2,6-dimethyloct-7-en-3-ol.

Molecular Properties

Compound Name2,6-dimethyloct-7-en-3-ol
PubChem CID565253
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2,6-dimethyloct-7-en-3-ol
SMILESC=CC(C)CCC(O)C(C)C
InChIInChI=1S/C10H20O/c1-5-9(4)6-7-10(11)8(2)3/h5,8-11H,1,6-7H2,2-4H3
InChIKeyQBRDZEOXRCJJJS-UHFFFAOYSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(-)-Ipsenol
CID 93186
2-Methyl-6-methylene-7-octen-4-ol
CID 85712
7-Octen-2-ol
CID 542172
7-Octen-4-OL
CID 40923
1-Octen-4-ol
CID 142471
1,7-Octadien-3-ol, 2,6-dimethyl-
CID 90789
6-Hepten-1-ol, 2-methyl-
CID 565262
4-Ethyloct-1-en-3-ol
CID 93920
5-Methyl-1-hepten-4-ol
CID 145341
4-Methyl-6-hepten-3-ol
CID 547700
3-Methyloct-7-en-2-ol
CID 10351801
2-Methyl-5-(prop-1-en-2-yl)cyclohex-3-en-1-ol
CID 71353159

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyloct-7-en-3-ol?
The IUPAC name of 2,6-dimethyloct-7-en-3-ol (CID 565253) is 2,6-dimethyloct-7-en-3-ol.
What is the SMILES notation for 2,6-dimethyloct-7-en-3-ol?
The canonical SMILES for 2,6-dimethyloct-7-en-3-ol is C=CC(C)CCC(O)C(C)C.
What is the InChIKey of 2,6-dimethyloct-7-en-3-ol?
The InChIKey is QBRDZEOXRCJJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-5-9(4)6-7-10(11)8(2)3/h5,8-11H,1,6-7H2,2-4H3.
What are the key properties of 2,6-dimethyloct-7-en-3-ol?
2,6-dimethyloct-7-en-3-ol has a molecular weight of 156.27 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyloct-7-en-3-ol is sourced from PubChem (CID 565253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).