(3R,4R)-2,4-dimethylhex-5-en-3-ol

C8H16O — CID 10678255

IUPAC(3R,4R)-2,4-dimethylhex-5-en-3-ol
SMILESC=C[C@@H](C)[C@H](O)C(C)C
InChIInChI=1S/C8H16O/c1-5-7(4)8(9)6(2)3/h5-9H,1H2,2-4H3/t7-,8-/m1/s1
InChIKeyJRWCUTVCSGZAQO-HTQZYQBOSA-N
MW128.21 g/mol
LogP1.83
Rot. Bonds3

About (3R,4R)-2,4-dimethylhex-5-en-3-ol

(3R,4R)-2,4-dimethylhex-5-en-3-ol (PubChem CID 10678255) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (3R,4R)-2,4-dimethylhex-5-en-3-ol.

Molecular Properties

Compound Name(3R,4R)-2,4-dimethylhex-5-en-3-ol
PubChem CID10678255
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(3R,4R)-2,4-dimethylhex-5-en-3-ol
SMILESC=C[C@@H](C)[C@H](O)C(C)C
InChIInChI=1S/C8H16O/c1-5-7(4)8(9)6(2)3/h5-9H,1H2,2-4H3/t7-,8-/m1/s1
InChIKeyJRWCUTVCSGZAQO-HTQZYQBOSA-N
XLogP1.83
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 ≤ 51.83
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

(-)-Ipsenol
CID 93186
2-Methyl-6-methylene-7-octen-4-ol
CID 85712
2-Methyl-5-hexen-3-ol
CID 141746
4-Ethenyl-2,5-dimethylhexa-1,5-dien-3-ol
CID 21630873
5-Methyl-1-hexen-3-ol
CID 5314815
2,2-Dimethyl-5-hexen-3-ol
CID 140556
5-Methyl-1-hepten-4-ol
CID 145341
3-Methyl-4-penten-2-ol
CID 544701
4-Methyl-5-hexen-3-ol
CID 12496406
4-Methyl-6-hepten-3-ol
CID 547700
(3S,4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-ol
CID 162974269
(3R,4S)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-ol
CID 162974271

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2,4-dimethylhex-5-en-3-ol?
The IUPAC name of (3R,4R)-2,4-dimethylhex-5-en-3-ol (CID 10678255) is (3R,4R)-2,4-dimethylhex-5-en-3-ol.
What is the SMILES notation for (3R,4R)-2,4-dimethylhex-5-en-3-ol?
The canonical SMILES for (3R,4R)-2,4-dimethylhex-5-en-3-ol is C=C[C@@H](C)[C@H](O)C(C)C.
What is the InChIKey of (3R,4R)-2,4-dimethylhex-5-en-3-ol?
The InChIKey is JRWCUTVCSGZAQO-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16O/c1-5-7(4)8(9)6(2)3/h5-9H,1H2,2-4H3/t7-,8-/m1/s1.
What are the key properties of (3R,4R)-2,4-dimethylhex-5-en-3-ol?
(3R,4R)-2,4-dimethylhex-5-en-3-ol has a molecular weight of 128.21 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2,4-dimethylhex-5-en-3-ol is sourced from PubChem (CID 10678255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).