3-methoxy-4-(methoxymethyl)hex-5-en-2-ol

C9H18O3 — CID 123992627

IUPAC3-methoxy-4-(methoxymethyl)hex-5-en-2-ol
SMILESC=CC(COC)C(OC)C(C)O
InChIInChI=1S/C9H18O3/c1-5-8(6-11-3)9(12-4)7(2)10/h5,7-10H,1,6H2,2-4H3
InChIKeyDIKVFEJEDHHJDS-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.83
Rot. Bonds6

About 3-methoxy-4-(methoxymethyl)hex-5-en-2-ol

3-methoxy-4-(methoxymethyl)hex-5-en-2-ol (PubChem CID 123992627) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-methoxy-4-(methoxymethyl)hex-5-en-2-ol.

Molecular Properties

Compound Name3-methoxy-4-(methoxymethyl)hex-5-en-2-ol
PubChem CID123992627
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name3-methoxy-4-(methoxymethyl)hex-5-en-2-ol
SMILESC=CC(COC)C(OC)C(C)O
InChIInChI=1S/C9H18O3/c1-5-8(6-11-3)9(12-4)7(2)10/h5,7-10H,1,6H2,2-4H3
InChIKeyDIKVFEJEDHHJDS-UHFFFAOYSA-N
XLogP0.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxypropan-2-ol;tris(prop-1-ene)
CID 162146240
(2R,3S)-3-methoxypent-4-en-2-ol
CID 12755461
ethenyl-hydroxy-methoxy-methylphosphanium
CID 155679791
1-methoxy-2-methylhex-5-en-3-ol
CID 116502507
buta-1,3-diene;butane-2,3-diol;but-3-en-2-ol
CID 157123316
1-methoxypropan-2-ol chloride
CID 23303898
(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-ol
CID 15689262
2-methoxyethanol;propan-2-ol;prop-1-ene
CID 87495214
(4R)-1-methoxypentane-2,3,4-triol
CID 174089991
(3R)-4-methoxy-3-[(2R)-1-methoxybut-3-en-2-yl]oxybut-1-ene
CID 124562631
2,5-dihydroxy-3,4,6-trimethoxyhexanal
CID 18533991
6-methoxyhex-1-en-3-ol
CID 105108568

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(methoxymethyl)hex-5-en-2-ol?
The IUPAC name of 3-methoxy-4-(methoxymethyl)hex-5-en-2-ol (CID 123992627) is 3-methoxy-4-(methoxymethyl)hex-5-en-2-ol.
What is the SMILES notation for 3-methoxy-4-(methoxymethyl)hex-5-en-2-ol?
The canonical SMILES for 3-methoxy-4-(methoxymethyl)hex-5-en-2-ol is C=CC(COC)C(OC)C(C)O.
What is the InChIKey of 3-methoxy-4-(methoxymethyl)hex-5-en-2-ol?
The InChIKey is DIKVFEJEDHHJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-5-8(6-11-3)9(12-4)7(2)10/h5,7-10H,1,6H2,2-4H3.
What are the key properties of 3-methoxy-4-(methoxymethyl)hex-5-en-2-ol?
3-methoxy-4-(methoxymethyl)hex-5-en-2-ol has a molecular weight of 174.24 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(methoxymethyl)hex-5-en-2-ol is sourced from PubChem (CID 123992627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).