5-methyl-1-(oxan-2-yl)hex-5-en-2-ol

C12H22O2 — CID 114474030

IUPAC5-methyl-1-(oxan-2-yl)hex-5-en-2-ol
SMILESC=C(C)CCC(O)CC1CCCCO1
InChIInChI=1S/C12H22O2/c1-10(2)6-7-11(13)9-12-5-3-4-8-14-12/h11-13H,1,3-9H2,2H3
InChIKeyWVTILYYQTHPIDT-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.66
Rot. Bonds5

About 5-methyl-1-(oxan-2-yl)hex-5-en-2-ol

5-methyl-1-(oxan-2-yl)hex-5-en-2-ol (PubChem CID 114474030) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 5-methyl-1-(oxan-2-yl)hex-5-en-2-ol.

Molecular Properties

Compound Name5-methyl-1-(oxan-2-yl)hex-5-en-2-ol
PubChem CID114474030
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name5-methyl-1-(oxan-2-yl)hex-5-en-2-ol
SMILESC=C(C)CCC(O)CC1CCCCO1
InChIInChI=1S/C12H22O2/c1-10(2)6-7-11(13)9-12-5-3-4-8-14-12/h11-13H,1,3-9H2,2H3
InChIKeyWVTILYYQTHPIDT-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.66
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

5-methyl-1-(oxan-2-yl)-N-propylhex-5-en-2-amine
CID 114475869
4-methylsulfonyl-1-(oxan-2-yl)butan-2-ol
CID 114982933
1-(oxolan-2-yl)heptan-2-ol
CID 62606693
5-methyl-1-(oxan-2-yl)hex-5-en-2-one
CID 114473726
1-cyclopentyl-4-(oxan-2-yl)butan-2-ol
CID 115789825
(2R)-2-(2-methylpropyl)oxane
CID 58653197
1-cyclohexyl-6-methylhept-6-en-3-ol
CID 115834468
5-ethylsulfonyl-1-(oxolan-2-yl)pentan-2-ol
CID 65098323
4-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)butan-2-ol
CID 103008506
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126
3-fluoro-4-(oxan-2-yl)butan-2-one
CID 105435805
2-(2,3-dimethylbutyl)oxane
CID 167069415

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(oxan-2-yl)hex-5-en-2-ol?
The IUPAC name of 5-methyl-1-(oxan-2-yl)hex-5-en-2-ol (CID 114474030) is 5-methyl-1-(oxan-2-yl)hex-5-en-2-ol.
What is the SMILES notation for 5-methyl-1-(oxan-2-yl)hex-5-en-2-ol?
The canonical SMILES for 5-methyl-1-(oxan-2-yl)hex-5-en-2-ol is C=C(C)CCC(O)CC1CCCCO1.
What is the InChIKey of 5-methyl-1-(oxan-2-yl)hex-5-en-2-ol?
The InChIKey is WVTILYYQTHPIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-10(2)6-7-11(13)9-12-5-3-4-8-14-12/h11-13H,1,3-9H2,2H3.
What are the key properties of 5-methyl-1-(oxan-2-yl)hex-5-en-2-ol?
5-methyl-1-(oxan-2-yl)hex-5-en-2-ol has a molecular weight of 198.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(oxan-2-yl)hex-5-en-2-ol is sourced from PubChem (CID 114474030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).