6-methoxyoct-7-en-2-ol

C9H18O2 — CID 11550053

IUPAC6-methoxyoct-7-en-2-ol
SMILESC=CC(CCCC(C)O)OC
InChIInChI=1S/C9H18O2/c1-4-9(11-3)7-5-6-8(2)10/h4,8-10H,1,5-7H2,2-3H3
InChIKeySRFCBUACGQWULA-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.74
Rot. Bonds6

About 6-methoxyoct-7-en-2-ol

6-methoxyoct-7-en-2-ol (PubChem CID 11550053) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 6-methoxyoct-7-en-2-ol.

Molecular Properties

Compound Name6-methoxyoct-7-en-2-ol
PubChem CID11550053
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name6-methoxyoct-7-en-2-ol
SMILESC=CC(CCCC(C)O)OC
InChIInChI=1S/C9H18O2/c1-4-9(11-3)7-5-6-8(2)10/h4,8-10H,1,5-7H2,2-3H3
InChIKeySRFCBUACGQWULA-UHFFFAOYSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.74
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

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CID 87881722
ethane;1-[5-methoxyhept-6-enyl(propyl)amino]propan-2-ol
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3-methoxynon-1-ene
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(2S,6R)-6-methoxynon-8-en-2-ol
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(2R,5R)-5-(methoxymethoxy)hept-6-en-2-ol
CID 44604186
undec-10-ene-2,9-diol
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(2Z)-6-methoxy-2-methylocta-2,7-dien-1-amine
CID 144515472
3-methoxy-10-octoxydec-1-ene
CID 141054986
[(3R,7S)-7-acetyloxynona-1,8-dien-3-yl] acetate
CID 92532320
ethane-1,2-diol;3-methoxypent-1-ene
CID 90081952
ethenyl-hydroxy-methoxy-methylphosphanium
CID 155679791
7-hydroxyoctan-3-yl prop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of 6-methoxyoct-7-en-2-ol?
The IUPAC name of 6-methoxyoct-7-en-2-ol (CID 11550053) is 6-methoxyoct-7-en-2-ol.
What is the SMILES notation for 6-methoxyoct-7-en-2-ol?
The canonical SMILES for 6-methoxyoct-7-en-2-ol is C=CC(CCCC(C)O)OC.
What is the InChIKey of 6-methoxyoct-7-en-2-ol?
The InChIKey is SRFCBUACGQWULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-9(11-3)7-5-6-8(2)10/h4,8-10H,1,5-7H2,2-3H3.
What are the key properties of 6-methoxyoct-7-en-2-ol?
6-methoxyoct-7-en-2-ol has a molecular weight of 158.24 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyoct-7-en-2-ol is sourced from PubChem (CID 11550053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).