6-methoxy-2-methylhex-1-en-3-ol

C8H16O2 — CID 105110564

IUPAC6-methoxy-2-methylhex-1-en-3-ol
SMILESC=C(C)C(O)CCCOC
InChIInChI=1S/C8H16O2/c1-7(2)8(9)5-4-6-10-3/h8-9H,1,4-6H2,2-3H3
InChIKeyWBQWTPKKDWSAQI-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.35
Rot. Bonds5

About 6-methoxy-2-methylhex-1-en-3-ol

6-methoxy-2-methylhex-1-en-3-ol (PubChem CID 105110564) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 6-methoxy-2-methylhex-1-en-3-ol.

Molecular Properties

Compound Name6-methoxy-2-methylhex-1-en-3-ol
PubChem CID105110564
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name6-methoxy-2-methylhex-1-en-3-ol
SMILESC=C(C)C(O)CCCOC
InChIInChI=1S/C8H16O2/c1-7(2)8(9)5-4-6-10-3/h8-9H,1,4-6H2,2-3H3
InChIKeyWBQWTPKKDWSAQI-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
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

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6-methoxyhex-1-en-3-ol
CID 105108568
2-methylnon-1-ene-3,7-diol
CID 140997811
5-hydroxy-6-methylhept-6-enoic acid
CID 22417308
1-bromo-1-methoxy-8-methylnon-8-ene-1,7-diol
CID 88752071
2,6-dimethylhept-1-en-3-ol
CID 13208265
5-amino-8-methoxy-2-methyloct-1-en-4-one
CID 116593842
1-[6-methoxyhexan-3-yl-bis(2-methylprop-2-enoyl)silyl]-2-methylprop-2-en-1-one
CID 175513554
6-(chloromethyl)-8-methoxy-2-methylocta-1,6-dien-3-ol
CID 72740292
1-ethoxy-5-methoxypentan-2-ol
CID 79566643
1,1,1-trifluoro-7-methoxyheptan-4-ol
CID 65091968

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methylhex-1-en-3-ol?
The IUPAC name of 6-methoxy-2-methylhex-1-en-3-ol (CID 105110564) is 6-methoxy-2-methylhex-1-en-3-ol.
What is the SMILES notation for 6-methoxy-2-methylhex-1-en-3-ol?
The canonical SMILES for 6-methoxy-2-methylhex-1-en-3-ol is C=C(C)C(O)CCCOC.
What is the InChIKey of 6-methoxy-2-methylhex-1-en-3-ol?
The InChIKey is WBQWTPKKDWSAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-7(2)8(9)5-4-6-10-3/h8-9H,1,4-6H2,2-3H3.
What are the key properties of 6-methoxy-2-methylhex-1-en-3-ol?
6-methoxy-2-methylhex-1-en-3-ol has a molecular weight of 144.21 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methylhex-1-en-3-ol is sourced from PubChem (CID 105110564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).