7-methoxyhept-6-en-1-ol

C8H16O2 — CID 85279707

IUPAC7-methoxyhept-6-en-1-ol
SMILESCOC=CCCCCCO
InChIInChI=1S/C8H16O2/c1-10-8-6-4-2-3-5-7-9/h6,8-9H,2-5,7H2,1H3
InChIKeyFKMZWHALUTZBAD-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.70
Rot. Bonds6

About 7-methoxyhept-6-en-1-ol

7-methoxyhept-6-en-1-ol (PubChem CID 85279707) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 7-methoxyhept-6-en-1-ol.

Molecular Properties

Compound Name7-methoxyhept-6-en-1-ol
PubChem CID85279707
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name7-methoxyhept-6-en-1-ol
SMILESCOC=CCCCCCO
InChIInChI=1S/C8H16O2/c1-10-8-6-4-2-3-5-7-9/h6,8-9H,2-5,7H2,1H3
InChIKeyFKMZWHALUTZBAD-UHFFFAOYSA-N
XLogP1.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(7-hydroxyhept-1-enoxy)hept-6-en-1-ol
CID 57238469
12-(12-hydroxydodec-1-enoxy)dodec-11-en-1-ol
CID 173344652
(Z)-1-methoxydec-1-ene
CID 10888349
(E)-1-methoxytridec-1-ene
CID 87204968
(E)-1-methoxyoct-1-ene
CID 10964624
hexadec-8-ene-1,16-diol
CID 54395986
(E)-1-methoxyhept-1-ene
CID 11126280
(7Z,11Z)-octadeca-7,11-diene-1,18-diol
CID 171904791
(E)-hexadec-1-ene-1,16-diol
CID 57427575
heptadec-1-ene-1,17-diol
CID 142730253
(E)-undec-8-en-1-ol
CID 6366560
(E)-docos-9-en-1-ol
CID 23502502

Frequently Asked Questions

What is the IUPAC name of 7-methoxyhept-6-en-1-ol?
The IUPAC name of 7-methoxyhept-6-en-1-ol (CID 85279707) is 7-methoxyhept-6-en-1-ol.
What is the SMILES notation for 7-methoxyhept-6-en-1-ol?
The canonical SMILES for 7-methoxyhept-6-en-1-ol is COC=CCCCCCO.
What is the InChIKey of 7-methoxyhept-6-en-1-ol?
The InChIKey is FKMZWHALUTZBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-10-8-6-4-2-3-5-7-9/h6,8-9H,2-5,7H2,1H3.
What are the key properties of 7-methoxyhept-6-en-1-ol?
7-methoxyhept-6-en-1-ol has a molecular weight of 144.21 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxyhept-6-en-1-ol is sourced from PubChem (CID 85279707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).