hex-5-en-1-ol;methoxymethylbenzene

C14H22O2 — CID 143092663

IUPAChex-5-en-1-ol;methoxymethylbenzene
SMILESC=CCCCCO.COCc1ccccc1
InChIInChI=1S/C8H10O.C6H12O/c1-9-7-8-5-3-2-4-6-8;1-2-3-4-5-6-7/h2-6H,7H2,1H3;2,7H,1,3-6H2
InChIKeyHSAVKKRCQVONKB-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.17
Rot. Bonds6

About hex-5-en-1-ol;methoxymethylbenzene

hex-5-en-1-ol;methoxymethylbenzene (PubChem CID 143092663) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is hex-5-en-1-ol;methoxymethylbenzene.

Molecular Properties

Compound Namehex-5-en-1-ol;methoxymethylbenzene
PubChem CID143092663
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Namehex-5-en-1-ol;methoxymethylbenzene
SMILESC=CCCCCO.COCc1ccccc1
InChIInChI=1S/C8H10O.C6H12O/c1-9-7-8-5-3-2-4-6-8;1-2-3-4-5-6-7/h2-6H,7H2,1H3;2,7H,1,3-6H2
InChIKeyHSAVKKRCQVONKB-UHFFFAOYSA-N
XLogP3.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.17
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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CID 159433557
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methoxymethylbenzene;silane
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methoxymethylbenzene;vanadium
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formaldehyde;methoxymethylbenzene;tungsten
CID 173357343
(4R,5R)-4-ethyl-5-phenylmethoxydec-9-en-1-ol
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CID 174456658
hydroperoxymethane;methoxymethylbenzene;propane
CID 91284821
ethane;methoxymethylbenzene;propane
CID 144561349
4-phenylmethoxyhex-5-en-1-ol
CID 25098808
hept-6-enylbenzene
CID 15608161

Frequently Asked Questions

What is the IUPAC name of hex-5-en-1-ol;methoxymethylbenzene?
The IUPAC name of hex-5-en-1-ol;methoxymethylbenzene (CID 143092663) is hex-5-en-1-ol;methoxymethylbenzene.
What is the SMILES notation for hex-5-en-1-ol;methoxymethylbenzene?
The canonical SMILES for hex-5-en-1-ol;methoxymethylbenzene is C=CCCCCO.COCc1ccccc1.
What is the InChIKey of hex-5-en-1-ol;methoxymethylbenzene?
The InChIKey is HSAVKKRCQVONKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C6H12O/c1-9-7-8-5-3-2-4-6-8;1-2-3-4-5-6-7/h2-6H,7H2,1H3;2,7H,1,3-6H2.
What are the key properties of hex-5-en-1-ol;methoxymethylbenzene?
hex-5-en-1-ol;methoxymethylbenzene has a molecular weight of 222.33 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-en-1-ol;methoxymethylbenzene is sourced from PubChem (CID 143092663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).