(2R)-3,3,7-trimethyloct-6-en-2-ol

C11H22O — CID 89306625

IUPAC(2R)-3,3,7-trimethyloct-6-en-2-ol
SMILESCC(C)=CCCC(C)(C)[C@@H](C)O
InChIInChI=1S/C11H22O/c1-9(2)7-6-8-11(4,5)10(3)12/h7,10,12H,6,8H2,1-5H3/t10-/m1/s1
InChIKeyNXPZBCFKVAFRIK-SNVBAGLBSA-N
MW170.30 g/mol
LogP3.14
Rot. Bonds4

About (2R)-3,3,7-trimethyloct-6-en-2-ol

(2R)-3,3,7-trimethyloct-6-en-2-ol (PubChem CID 89306625) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (2R)-3,3,7-trimethyloct-6-en-2-ol.

Molecular Properties

Compound Name(2R)-3,3,7-trimethyloct-6-en-2-ol
PubChem CID89306625
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(2R)-3,3,7-trimethyloct-6-en-2-ol
SMILESCC(C)=CCCC(C)(C)[C@@H](C)O
InChIInChI=1S/C11H22O/c1-9(2)7-6-8-11(4,5)10(3)12/h7,10,12H,6,8H2,1-5H3/t10-/m1/s1
InChIKeyNXPZBCFKVAFRIK-SNVBAGLBSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.14
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

7-methoxy-2,6,6-trimethyloct-2-ene
CID 89306696
2,6,6-trimethyl-7-nitrosooct-2-ene
CID 123195105
4-ethenyl-4,8-dimethylnon-7-en-2-ol
CID 10397794
3,3,4,8-tetramethylnon-7-en-2-ol
CID 58555248
(2R,3R)-3,7-dimethyloct-6-ene-1,2,3-triol
CID 10976249
4,4,8-trimethylnon-7-enal
CID 121006941
3,3-dimethylpentane-1,4-diol
CID 12931500
6-isocyano-2,6,7-trimethyloct-2-ene
CID 123535412
6-ethyl-2,6,7-trimethylnon-2-ene
CID 123408225
(2S,3R)-1,3-diiodo-3,7-dimethyloct-6-en-2-ol
CID 15311190
6-methoxy-2,6-dimethylhept-2-ene
CID 14793993
3-ethenyl-3,7-dimethylocta-1,6-diene
CID 13122887

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,7-trimethyloct-6-en-2-ol?
The IUPAC name of (2R)-3,3,7-trimethyloct-6-en-2-ol (CID 89306625) is (2R)-3,3,7-trimethyloct-6-en-2-ol.
What is the SMILES notation for (2R)-3,3,7-trimethyloct-6-en-2-ol?
The canonical SMILES for (2R)-3,3,7-trimethyloct-6-en-2-ol is CC(C)=CCCC(C)(C)[C@@H](C)O.
What is the InChIKey of (2R)-3,3,7-trimethyloct-6-en-2-ol?
The InChIKey is NXPZBCFKVAFRIK-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H22O/c1-9(2)7-6-8-11(4,5)10(3)12/h7,10,12H,6,8H2,1-5H3/t10-/m1/s1.
What are the key properties of (2R)-3,3,7-trimethyloct-6-en-2-ol?
(2R)-3,3,7-trimethyloct-6-en-2-ol has a molecular weight of 170.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,7-trimethyloct-6-en-2-ol is sourced from PubChem (CID 89306625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).