2,6,7,7-tetramethyloct-1-en-4-ol

C12H24O — CID 115816985

IUPAC2,6,7,7-tetramethyloct-1-en-4-ol
SMILESC=C(C)CC(O)CC(C)C(C)(C)C
InChIInChI=1S/C12H24O/c1-9(2)7-11(13)8-10(3)12(4,5)6/h10-11,13H,1,7-8H2,2-6H3
InChIKeyMZQNGROUVWRGCW-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.39
Rot. Bonds4

About 2,6,7,7-tetramethyloct-1-en-4-ol

2,6,7,7-tetramethyloct-1-en-4-ol (PubChem CID 115816985) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2,6,7,7-tetramethyloct-1-en-4-ol.

Molecular Properties

Compound Name2,6,7,7-tetramethyloct-1-en-4-ol
PubChem CID115816985
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2,6,7,7-tetramethyloct-1-en-4-ol
SMILESC=C(C)CC(O)CC(C)C(C)(C)C
InChIInChI=1S/C12H24O/c1-9(2)7-11(13)8-10(3)12(4,5)6/h10-11,13H,1,7-8H2,2-6H3
InChIKeyMZQNGROUVWRGCW-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6,7,7-tetramethyloct-1-en-4-ol?
The IUPAC name of 2,6,7,7-tetramethyloct-1-en-4-ol (CID 115816985) is 2,6,7,7-tetramethyloct-1-en-4-ol.
What is the SMILES notation for 2,6,7,7-tetramethyloct-1-en-4-ol?
The canonical SMILES for 2,6,7,7-tetramethyloct-1-en-4-ol is C=C(C)CC(O)CC(C)C(C)(C)C.
What is the InChIKey of 2,6,7,7-tetramethyloct-1-en-4-ol?
The InChIKey is MZQNGROUVWRGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-9(2)7-11(13)8-10(3)12(4,5)6/h10-11,13H,1,7-8H2,2-6H3.
What are the key properties of 2,6,7,7-tetramethyloct-1-en-4-ol?
2,6,7,7-tetramethyloct-1-en-4-ol has a molecular weight of 184.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7,7-tetramethyloct-1-en-4-ol is sourced from PubChem (CID 115816985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).