1-methoxyhept-1-en-1-ol

C8H16O2 — CID 123724629

IUPAC1-methoxyhept-1-en-1-ol
SMILESCCCCCC=C(O)OC
InChIInChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h7,9H,3-6H2,1-2H3
InChIKeyPKFHNDNDNFLRHS-UHFFFAOYSA-N
MW144.21 g/mol
LogP2.61
Rot. Bonds5

About 1-methoxyhept-1-en-1-ol

1-methoxyhept-1-en-1-ol (PubChem CID 123724629) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1-methoxyhept-1-en-1-ol.

Molecular Properties

Compound Name1-methoxyhept-1-en-1-ol
PubChem CID123724629
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1-methoxyhept-1-en-1-ol
SMILESCCCCCC=C(O)OC
InChIInChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h7,9H,3-6H2,1-2H3
InChIKeyPKFHNDNDNFLRHS-UHFFFAOYSA-N
XLogP2.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 52.61
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

1-silyloxyhept-1-en-1-ol
CID 131716834
(E)-4-methoxydec-4-ene
CID 134864544
(Z)-2-methoxypentadec-2-enoic acid
CID 87404776
undec-1-ene-1,1-diol
CID 87556705
undec-3-en-3-amine
CID 151904505
1-hydroperoxy-1-methoxyoct-1-ene
CID 87597358
methyl 2-methyloct-2-enoate
CID 71403822
tributyl-[(E)-3-hydroxy-3-methoxyprop-2-enyl]phosphanium
CID 162403304
(E)-octadec-9-en-9-amine
CID 146566069
methyl (E)-2-ethyldec-2-enoate
CID 25232141
methyl (E)-3-methylnon-3-enoate
CID 121218626
[(E)-1-methoxyhept-1-enoxy]-trimethylsilane
CID 11321899

Frequently Asked Questions

What is the IUPAC name of 1-methoxyhept-1-en-1-ol?
The IUPAC name of 1-methoxyhept-1-en-1-ol (CID 123724629) is 1-methoxyhept-1-en-1-ol.
What is the SMILES notation for 1-methoxyhept-1-en-1-ol?
The canonical SMILES for 1-methoxyhept-1-en-1-ol is CCCCCC=C(O)OC.
What is the InChIKey of 1-methoxyhept-1-en-1-ol?
The InChIKey is PKFHNDNDNFLRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h7,9H,3-6H2,1-2H3.
What are the key properties of 1-methoxyhept-1-en-1-ol?
1-methoxyhept-1-en-1-ol has a molecular weight of 144.21 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyhept-1-en-1-ol is sourced from PubChem (CID 123724629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).