6-methoxyhex-1-en-3-ol

C7H14O2 — CID 105108568

IUPAC6-methoxyhex-1-en-3-ol
SMILESC=CC(O)CCCOC
InChIInChI=1S/C7H14O2/c1-3-7(8)5-4-6-9-2/h3,7-8H,1,4-6H2,2H3
InChIKeyNQAFUPJZHFBGGD-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.96
Rot. Bonds5

About 6-methoxyhex-1-en-3-ol

6-methoxyhex-1-en-3-ol (PubChem CID 105108568) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 6-methoxyhex-1-en-3-ol.

Molecular Properties

Compound Name6-methoxyhex-1-en-3-ol
PubChem CID105108568
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name6-methoxyhex-1-en-3-ol
SMILESC=CC(O)CCCOC
InChIInChI=1S/C7H14O2/c1-3-7(8)5-4-6-9-2/h3,7-8H,1,4-6H2,2H3
InChIKeyNQAFUPJZHFBGGD-UHFFFAOYSA-N
XLogP0.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
CID 45101596
undec-1-en-3-ol
CID 3015762
(3R)-dec-1-en-3-ol
CID 12619485
undec-10-ene-2,9-diol
CID 174994390
heptadec-1-en-3-ol
CID 11858939
hept-6-ene-1,5-diol
CID 13479548
1-amino-4-methoxybutan-1-ol
CID 57141832
(3R)-6-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
CID 24864257
6-methoxy-2-methylhex-1-en-3-ol
CID 105110564
non-1-ene-3,7-diol
CID 22245625
3-(methoxymethoxy)oct-1-ene;oct-1-en-3-ol
CID 161465176
4-amino-7-methoxyhept-1-en-3-one
CID 116593727

Frequently Asked Questions

What is the IUPAC name of 6-methoxyhex-1-en-3-ol?
The IUPAC name of 6-methoxyhex-1-en-3-ol (CID 105108568) is 6-methoxyhex-1-en-3-ol.
What is the SMILES notation for 6-methoxyhex-1-en-3-ol?
The canonical SMILES for 6-methoxyhex-1-en-3-ol is C=CC(O)CCCOC.
What is the InChIKey of 6-methoxyhex-1-en-3-ol?
The InChIKey is NQAFUPJZHFBGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-7(8)5-4-6-9-2/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 6-methoxyhex-1-en-3-ol?
6-methoxyhex-1-en-3-ol has a molecular weight of 130.19 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyhex-1-en-3-ol is sourced from PubChem (CID 105108568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).