6-(chloromethyl)-8-methoxy-2-methylocta-1,6-dien-3-ol

C11H19ClO2 — CID 72740292

IUPAC6-(chloromethyl)-8-methoxy-2-methylocta-1,6-dien-3-ol
SMILESC=C(C)C(O)CCC(=CCOC)CCl
InChIInChI=1S/C11H19ClO2/c1-9(2)11(13)5-4-10(8-12)6-7-14-3/h6,11,13H,1,4-5,7-8H2,2-3H3
InChIKeyORTLPYMSRXBBBT-UHFFFAOYSA-N
MW218.72 g/mol
LogP2.52
Rot. Bonds7

About 6-(chloromethyl)-8-methoxy-2-methylocta-1,6-dien-3-ol

6-(chloromethyl)-8-methoxy-2-methylocta-1,6-dien-3-ol (PubChem CID 72740292) has the molecular formula C11H19ClO2 and a molecular weight of 218.72 g/mol. Its IUPAC name is 6-(chloromethyl)-8-methoxy-2-methylocta-1,6-dien-3-ol.

Molecular Properties

Compound Name6-(chloromethyl)-8-methoxy-2-methylocta-1,6-dien-3-ol
PubChem CID72740292
Molecular FormulaC11H19ClO2
Molecular Weight218.72 g/mol
Exact Mass218.11
IUPAC Name6-(chloromethyl)-8-methoxy-2-methylocta-1,6-dien-3-ol
SMILESC=C(C)C(O)CCC(=CCOC)CCl
InChIInChI=1S/C11H19ClO2/c1-9(2)11(13)5-4-10(8-12)6-7-14-3/h6,11,13H,1,4-5,7-8H2,2-3H3
InChIKeyORTLPYMSRXBBBT-UHFFFAOYSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.72
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,6Z)-6-(chloromethyl)-1,8-dimethoxy-2-methylocta-2,6-diene
CID 14486227
3-bromo-8-chloro-6-(chloromethyl)-2-methylocta-1,6-diene
CID 72732358
(6Z)-7-fluoro-2,6-dimethylhepta-1,6-dien-3-ol
CID 24974006
2-methyl-6-methylideneocta-1,7-dien-3-ol
CID 534462
6-methoxy-2-methylhex-1-en-3-ol
CID 105110564
2,6-dimethyl-8-phenylmethoxyocta-1,6-dien-3-ol
CID 70556140
(6Z)-6-(chloromethyl)-N,N,2-trimethyldodeca-1,6-dien-3-amine
CID 146245977
(Z)-1,5-dimethoxy-3-methylpent-2-ene
CID 146216379
2,6-dimethylhept-1-en-3-ol
CID 13208265
(6E)-8-methoxy-2,6-dimethylocta-1,6-diene
CID 87447778
(3R,5R,6E,10R)-3,7,11-trimethyldodeca-1,6,11-triene-3,5,10-triol
CID 162965161
(3S)-2,6-dimethylhepta-1,5-dien-3-ol
CID 12774566

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-8-methoxy-2-methylocta-1,6-dien-3-ol?
The IUPAC name of 6-(chloromethyl)-8-methoxy-2-methylocta-1,6-dien-3-ol (CID 72740292) is 6-(chloromethyl)-8-methoxy-2-methylocta-1,6-dien-3-ol.
What is the SMILES notation for 6-(chloromethyl)-8-methoxy-2-methylocta-1,6-dien-3-ol?
The canonical SMILES for 6-(chloromethyl)-8-methoxy-2-methylocta-1,6-dien-3-ol is C=C(C)C(O)CCC(=CCOC)CCl.
What is the InChIKey of 6-(chloromethyl)-8-methoxy-2-methylocta-1,6-dien-3-ol?
The InChIKey is ORTLPYMSRXBBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClO2/c1-9(2)11(13)5-4-10(8-12)6-7-14-3/h6,11,13H,1,4-5,7-8H2,2-3H3.
What are the key properties of 6-(chloromethyl)-8-methoxy-2-methylocta-1,6-dien-3-ol?
6-(chloromethyl)-8-methoxy-2-methylocta-1,6-dien-3-ol has a molecular weight of 218.72 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-8-methoxy-2-methylocta-1,6-dien-3-ol is sourced from PubChem (CID 72740292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).