(E,3R)-2,2-dimethylhex-4-en-3-ol

C8H16O — CID 11446339

IUPAC(E,3R)-2,2-dimethylhex-4-en-3-ol
SMILESC/C=C/[C@@H](O)C(C)(C)C
InChIInChI=1S/C8H16O/c1-5-6-7(9)8(2,3)4/h5-7,9H,1-4H3/b6-5+/t7-/m1/s1
InChIKeyLWNCLPPCYNKNEP-WEWAHIQMSA-N
MW128.21 g/mol
LogP1.97
Rot. Bonds1

About (E,3R)-2,2-dimethylhex-4-en-3-ol

(E,3R)-2,2-dimethylhex-4-en-3-ol (PubChem CID 11446339) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (E,3R)-2,2-dimethylhex-4-en-3-ol.

Molecular Properties

Compound Name(E,3R)-2,2-dimethylhex-4-en-3-ol
PubChem CID11446339
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(E,3R)-2,2-dimethylhex-4-en-3-ol
SMILESC/C=C/[C@@H](O)C(C)(C)C
InChIInChI=1S/C8H16O/c1-5-6-7(9)8(2,3)4/h5-7,9H,1-4H3/b6-5+/t7-/m1/s1
InChIKeyLWNCLPPCYNKNEP-WEWAHIQMSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 51.97
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

(5E)-3-methylhepta-1,5-diene-3,4-diol
CID 130121996
5,5-dimethyloct-2-en-7-yn-4-ol
CID 140756805
(E,2R,3R)-2-phenylhex-4-ene-2,3-diol
CID 102188552
(Z,3S)-2,2-dimethylnon-4-en-3-ol
CID 129365171
5-(2,2-dimethylpropoxy)-5-methylhept-2-en-4-ol
CID 167210256
2,3-dimethylhex-4-en-2-ol
CID 91446389
(E)-7-hydroxy-8,8-dimethylnon-5-en-4-one
CID 24977919
4-ethyl-5,5-dimethylhex-2-ene
CID 91256075
6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-4-ol
CID 91552534
3,3-dimethylhex-4-en-2-ol
CID 85445269
(E)-3,3-dimethylhex-4-en-2-ol
CID 12835180
3-methylhepta-2,5-dien-4-ol
CID 130124822

Frequently Asked Questions

What is the IUPAC name of (E,3R)-2,2-dimethylhex-4-en-3-ol?
The IUPAC name of (E,3R)-2,2-dimethylhex-4-en-3-ol (CID 11446339) is (E,3R)-2,2-dimethylhex-4-en-3-ol.
What is the SMILES notation for (E,3R)-2,2-dimethylhex-4-en-3-ol?
The canonical SMILES for (E,3R)-2,2-dimethylhex-4-en-3-ol is C/C=C/[C@@H](O)C(C)(C)C.
What is the InChIKey of (E,3R)-2,2-dimethylhex-4-en-3-ol?
The InChIKey is LWNCLPPCYNKNEP-WEWAHIQMSA-N. The full InChI is InChI=1S/C8H16O/c1-5-6-7(9)8(2,3)4/h5-7,9H,1-4H3/b6-5+/t7-/m1/s1.
What are the key properties of (E,3R)-2,2-dimethylhex-4-en-3-ol?
(E,3R)-2,2-dimethylhex-4-en-3-ol has a molecular weight of 128.21 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-2,2-dimethylhex-4-en-3-ol is sourced from PubChem (CID 11446339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).