(E,2R)-2,4-dimethylhex-4-en-1-ol

C8H16O — CID 10103193

IUPAC(E,2R)-2,4-dimethylhex-4-en-1-ol
SMILESC/C=C(\C)C[C@@H](C)CO
InChIInChI=1S/C8H16O/c1-4-7(2)5-8(3)6-9/h4,8-9H,5-6H2,1-3H3/b7-4+/t8-/m1/s1
InChIKeyRSIVBRRUWSICQV-RXLGXGPVSA-N
MW128.21 g/mol
LogP1.97
Rot. Bonds3

About (E,2R)-2,4-dimethylhex-4-en-1-ol

(E,2R)-2,4-dimethylhex-4-en-1-ol (PubChem CID 10103193) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (E,2R)-2,4-dimethylhex-4-en-1-ol.

Molecular Properties

Compound Name(E,2R)-2,4-dimethylhex-4-en-1-ol
PubChem CID10103193
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(E,2R)-2,4-dimethylhex-4-en-1-ol
SMILESC/C=C(\C)C[C@@H](C)CO
InChIInChI=1S/C8H16O/c1-4-7(2)5-8(3)6-9/h4,8-9H,5-6H2,1-3H3/b7-4+/t8-/m1/s1
InChIKeyRSIVBRRUWSICQV-RXLGXGPVSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

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(2R,4E,6E,8S)-2,4,8-trimethyldeca-4,6-dien-1-ol
CID 24773196
4-methyl-2-prop-1-en-2-ylhex-4-en-1-ol
CID 73412839
ethane;2-methylpropane-1,3-diol
CID 87127502
3,5-dimethyltrideca-2,8-diene
CID 123850076
2,6-dimethylhept-4-ene-1,4-diol
CID 173289430
tert-butyl-[(E,2R)-2,4-dimethylhex-4-enoxy]-dimethylsilane
CID 10060311
(6E)-2,4,6-trimethyl-3-methylideneocta-1,6-diene
CID 145367319
2-methylbut-2-enoic acid;2-methylpropane-1,3-diol
CID 174817771
2,4-dimethylpentane-1,5-diol
CID 10964552
(Z,3S)-5-methylhept-5-en-3-ol
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6-ethyl-3,5,6-trimethyloct-2-ene
CID 91251673

Frequently Asked Questions

What is the IUPAC name of (E,2R)-2,4-dimethylhex-4-en-1-ol?
The IUPAC name of (E,2R)-2,4-dimethylhex-4-en-1-ol (CID 10103193) is (E,2R)-2,4-dimethylhex-4-en-1-ol.
What is the SMILES notation for (E,2R)-2,4-dimethylhex-4-en-1-ol?
The canonical SMILES for (E,2R)-2,4-dimethylhex-4-en-1-ol is C/C=C(\C)C[C@@H](C)CO.
What is the InChIKey of (E,2R)-2,4-dimethylhex-4-en-1-ol?
The InChIKey is RSIVBRRUWSICQV-RXLGXGPVSA-N. The full InChI is InChI=1S/C8H16O/c1-4-7(2)5-8(3)6-9/h4,8-9H,5-6H2,1-3H3/b7-4+/t8-/m1/s1.
What are the key properties of (E,2R)-2,4-dimethylhex-4-en-1-ol?
(E,2R)-2,4-dimethylhex-4-en-1-ol has a molecular weight of 128.21 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2,4-dimethylhex-4-en-1-ol is sourced from PubChem (CID 10103193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).