1-methoxy-2-methylhex-5-en-3-ol

C8H16O2 — CID 116502507

IUPAC1-methoxy-2-methylhex-5-en-3-ol
SMILESC=CCC(O)C(C)COC
InChIInChI=1S/C8H16O2/c1-4-5-8(9)7(2)6-10-3/h4,7-9H,1,5-6H2,2-3H3
InChIKeyYISIXPDWYUXQJB-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.21
Rot. Bonds5

About 1-methoxy-2-methylhex-5-en-3-ol

1-methoxy-2-methylhex-5-en-3-ol (PubChem CID 116502507) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1-methoxy-2-methylhex-5-en-3-ol.

Molecular Properties

Compound Name1-methoxy-2-methylhex-5-en-3-ol
PubChem CID116502507
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1-methoxy-2-methylhex-5-en-3-ol
SMILESC=CCC(O)C(C)COC
InChIInChI=1S/C8H16O2/c1-4-5-8(9)7(2)6-10-3/h4,7-9H,1,5-6H2,2-3H3
InChIKeyYISIXPDWYUXQJB-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
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

(2R)-2-methylhex-5-ene-1,3-diol
CID 130652300
4-(bromomethyl)-6-methoxy-5-methylhex-1-ene
CID 165442980
(2R)-1,1-dimethoxypent-4-en-2-ol
CID 102353171
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol
CID 11276618
(2S,3S)-2-(methoxymethyl)-3-methylhex-5-enoic acid
CID 146545497
3-methylhept-6-ene-2,4-diol
CID 66895376
1-methoxypropan-2-ol;tris(prop-1-ene)
CID 162146240
ethane;5-methyloct-1-en-4-ol
CID 142059047
4,5-dimethoxypent-1-ene
CID 73040162
5-methoxy-4-(methoxymethyl)hex-1-ene
CID 89049171
methane;(4S,5R)-5-propan-2-ylocta-1,7-dien-4-ol
CID 157073054
(2S,3S)-2-(2-methoxyethoxymethyl)-3-methylhex-5-enoic acid
CID 146545133

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methylhex-5-en-3-ol?
The IUPAC name of 1-methoxy-2-methylhex-5-en-3-ol (CID 116502507) is 1-methoxy-2-methylhex-5-en-3-ol.
What is the SMILES notation for 1-methoxy-2-methylhex-5-en-3-ol?
The canonical SMILES for 1-methoxy-2-methylhex-5-en-3-ol is C=CCC(O)C(C)COC.
What is the InChIKey of 1-methoxy-2-methylhex-5-en-3-ol?
The InChIKey is YISIXPDWYUXQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-5-8(9)7(2)6-10-3/h4,7-9H,1,5-6H2,2-3H3.
What are the key properties of 1-methoxy-2-methylhex-5-en-3-ol?
1-methoxy-2-methylhex-5-en-3-ol has a molecular weight of 144.21 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylhex-5-en-3-ol is sourced from PubChem (CID 116502507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).