(E,2S,3R)-3-methoxyhex-4-en-2-ol

C7H14O2 — CID 134939548

IUPAC(E,2S,3R)-3-methoxyhex-4-en-2-ol
SMILESC/C=C/[C@@H](OC)[C@H](C)O
InChIInChI=1S/C7H14O2/c1-4-5-7(9-3)6(2)8/h4-8H,1-3H3/b5-4+/t6-,7+/m0/s1
InChIKeyNGIWQWVUZSZHPY-LYNIJRAASA-N
MW130.19 g/mol
LogP0.96
Rot. Bonds3

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

(E,2S,3R)-3-methoxyhex-4-en-2-ol (PubChem CID 134939548) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (E,2S,3R)-3-methoxyhex-4-en-2-ol.

Molecular Properties

Compound Name(E,2S,3R)-3-methoxyhex-4-en-2-ol
PubChem CID134939548
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(E,2S,3R)-3-methoxyhex-4-en-2-ol
SMILESC/C=C/[C@@H](OC)[C@H](C)O
InChIInChI=1S/C7H14O2/c1-4-5-7(9-3)6(2)8/h4-8H,1-3H3/b5-4+/t6-,7+/m0/s1
InChIKeyNGIWQWVUZSZHPY-LYNIJRAASA-N
XLogP0.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-3-methoxypent-4-en-2-ol
CID 12755461
methyl (2Z,6E)-3,5-dimethoxy-4-methylocta-2,6-dienoate
CID 20652480
3-methylhepta-2,5-dien-4-ol
CID 130124822
(E,2R,3R,4S,5S)-3,5-dimethoxy-2,4-dimethyloct-6-enal
CID 89393707
(E,2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxyhex-4-en-2-ol
CID 102461539
(2S,3R,4R,5S)-5-hydroxy-2,3,4-trimethoxyhexanal
CID 22875615
methanol;methoxymethanediol
CID 162244729
3-methylidenehept-5-ene-2,4-diol
CID 90801903
(Z)-3-propan-2-ylhex-4-en-2-ol
CID 90721826
2-methoxypent-3-enoic acid
CID 131268395
4-methylpent-2-ene
CID 12659
ethane;1-methoxyethanol
CID 157348595

Frequently Asked Questions

What is the IUPAC name of (E,2S,3R)-3-methoxyhex-4-en-2-ol?
The IUPAC name of (E,2S,3R)-3-methoxyhex-4-en-2-ol (CID 134939548) is (E,2S,3R)-3-methoxyhex-4-en-2-ol.
What is the SMILES notation for (E,2S,3R)-3-methoxyhex-4-en-2-ol?
The canonical SMILES for (E,2S,3R)-3-methoxyhex-4-en-2-ol is C/C=C/[C@@H](OC)[C@H](C)O.
What is the InChIKey of (E,2S,3R)-3-methoxyhex-4-en-2-ol?
The InChIKey is NGIWQWVUZSZHPY-LYNIJRAASA-N. The full InChI is InChI=1S/C7H14O2/c1-4-5-7(9-3)6(2)8/h4-8H,1-3H3/b5-4+/t6-,7+/m0/s1.
What are the key properties of (E,2S,3R)-3-methoxyhex-4-en-2-ol?
(E,2S,3R)-3-methoxyhex-4-en-2-ol has a molecular weight of 130.19 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3R)-3-methoxyhex-4-en-2-ol is sourced from PubChem (CID 134939548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).