4-[(3-methyloxetan-3-yl)oxymethyl]hepta-1,6-dien-4-ol

C12H20O3 — CID 162404747

IUPAC4-[(3-methyloxetan-3-yl)oxymethyl]hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)COC1(C)COC1
InChIInChI=1S/C12H20O3/c1-4-6-12(13,7-5-2)10-15-11(3)8-14-9-11/h4-5,13H,1-2,6-10H2,3H3
InChIKeyHZEVJFXZDSGJRW-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.68
Rot. Bonds7

About 4-[(3-methyloxetan-3-yl)oxymethyl]hepta-1,6-dien-4-ol

4-[(3-methyloxetan-3-yl)oxymethyl]hepta-1,6-dien-4-ol (PubChem CID 162404747) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-[(3-methyloxetan-3-yl)oxymethyl]hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name4-[(3-methyloxetan-3-yl)oxymethyl]hepta-1,6-dien-4-ol
PubChem CID162404747
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name4-[(3-methyloxetan-3-yl)oxymethyl]hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)COC1(C)COC1
InChIInChI=1S/C12H20O3/c1-4-6-12(13,7-5-2)10-15-11(3)8-14-9-11/h4-5,13H,1-2,6-10H2,3H3
InChIKeyHZEVJFXZDSGJRW-UHFFFAOYSA-N
XLogP1.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(Prop-2-en-1-yl)oxetan-3-ol
CID 55280862
Diallyl diethylene glycol
CID 22034395
Diallyltriethylene glycol
CID 87841834
4-[Difluoro(3-fluoropropoxy)methyl]hepta-1,6-dien-4-ol
CID 118403353
4-(Prop-2-ynoxymethyl)hepta-1,6-dien-4-ol
CID 11715288
4-[(1R)-1-prop-2-ynoxyethyl]hepta-1,6-dien-4-ol
CID 135023338
2-(3-Prop-2-enyloxetan-3-yl)oxyethanol
CID 162406552
[(2S)-2-methyl-5,5-bis(prop-2-enyl)-1,4-dioxan-2-yl]methanol
CID 162408373
2-Prop-2-enoxy-2-prop-2-enylpent-4-en-1-ol
CID 10631292
2-Methoxy-2-propan-2-ylpent-4-en-1-ol
CID 23384820
(2S)-2-methoxy-2-propan-2-ylpent-4-en-1-ol
CID 59039528
(2R)-2-methoxy-2-propan-2-ylpent-4-en-1-ol
CID 59911388

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyloxetan-3-yl)oxymethyl]hepta-1,6-dien-4-ol?
The IUPAC name of 4-[(3-methyloxetan-3-yl)oxymethyl]hepta-1,6-dien-4-ol (CID 162404747) is 4-[(3-methyloxetan-3-yl)oxymethyl]hepta-1,6-dien-4-ol.
What is the SMILES notation for 4-[(3-methyloxetan-3-yl)oxymethyl]hepta-1,6-dien-4-ol?
The canonical SMILES for 4-[(3-methyloxetan-3-yl)oxymethyl]hepta-1,6-dien-4-ol is C=CCC(O)(CC=C)COC1(C)COC1.
What is the InChIKey of 4-[(3-methyloxetan-3-yl)oxymethyl]hepta-1,6-dien-4-ol?
The InChIKey is HZEVJFXZDSGJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-4-6-12(13,7-5-2)10-15-11(3)8-14-9-11/h4-5,13H,1-2,6-10H2,3H3.
What are the key properties of 4-[(3-methyloxetan-3-yl)oxymethyl]hepta-1,6-dien-4-ol?
4-[(3-methyloxetan-3-yl)oxymethyl]hepta-1,6-dien-4-ol has a molecular weight of 212.29 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyloxetan-3-yl)oxymethyl]hepta-1,6-dien-4-ol is sourced from PubChem (CID 162404747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).