2,7-dimethyloct-7-en-2-ol

C10H20O — CID 12590012

IUPAC2,7-dimethyloct-7-en-2-ol
SMILESC=C(C)CCCCC(C)(C)O
InChIInChI=1S/C10H20O/c1-9(2)7-5-6-8-10(3,4)11/h11H,1,5-8H2,2-4H3
InChIKeyNZGRTXTVDSRARJ-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.89
Rot. Bonds5

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

2,7-dimethyloct-7-en-2-ol (PubChem CID 12590012) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2,7-dimethyloct-7-en-2-ol.

Molecular Properties

Compound Name2,7-dimethyloct-7-en-2-ol
PubChem CID12590012
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2,7-dimethyloct-7-en-2-ol
SMILESC=C(C)CCCCC(C)(C)O
InChIInChI=1S/C10H20O/c1-9(2)7-5-6-8-10(3,4)11/h11H,1,5-8H2,2-4H3
InChIKeyNZGRTXTVDSRARJ-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyloct-7-en-2-ol?
The IUPAC name of 2,7-dimethyloct-7-en-2-ol (CID 12590012) is 2,7-dimethyloct-7-en-2-ol.
What is the SMILES notation for 2,7-dimethyloct-7-en-2-ol?
The canonical SMILES for 2,7-dimethyloct-7-en-2-ol is C=C(C)CCCCC(C)(C)O.
What is the InChIKey of 2,7-dimethyloct-7-en-2-ol?
The InChIKey is NZGRTXTVDSRARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-9(2)7-5-6-8-10(3,4)11/h11H,1,5-8H2,2-4H3.
What are the key properties of 2,7-dimethyloct-7-en-2-ol?
2,7-dimethyloct-7-en-2-ol has a molecular weight of 156.27 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyloct-7-en-2-ol is sourced from PubChem (CID 12590012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).