2-[4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]propan-2-ol

C12H22O3 — CID 542318

IUPAC2-[4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]propan-2-ol
SMILESCOCOCC1=CCC(C(C)(C)O)CC1
InChIInChI=1S/C12H22O3/c1-12(2,13)11-6-4-10(5-7-11)8-15-9-14-3/h4,11,13H,5-9H2,1-3H3
InChIKeyIZXCMUXHUDPZMZ-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.10
Rot. Bonds5

About 2-[4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]propan-2-ol

2-[4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]propan-2-ol (PubChem CID 542318) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-[4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]propan-2-ol
PubChem CID542318
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-[4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]propan-2-ol
SMILESCOCOCC1=CCC(C(C)(C)O)CC1
InChIInChI=1S/C12H22O3/c1-12(2,13)11-6-4-10(5-7-11)8-15-9-14-3/h4,11,13H,5-9H2,1-3H3
InChIKeyIZXCMUXHUDPZMZ-UHFFFAOYSA-N
XLogP2.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1S,5R)-8,8-dimethoxy-4-propan-2-ylspiro[4.5]deca-3,9-dien-1-yl]methanol
CID 127042782
Acetic acid, [4-(1-hydroxy-1-methylethyl)cyclohex-1-enyl]methyl ester
CID 547752
[(3R,4R)-3-(diethoxymethyl)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol
CID 71605960
(2R)-2-[(1R)-4-(methoxymethyl)cyclohex-3-en-1-yl]propan-1-ol
CID 162403879
[(3S,4S)-3-(diethoxymethyl)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol
CID 162415916
(E,E)-8,8-Bis((3,7-dimethyl-2,6-octadienyl)oxy)-2,6-dimethyloctan-2-ol
CID 6366339
Cyclohexene, 4-isopropenyl-1-methoxymethoxymethyl-
CID 542456
6-Isopropenyl-3-methoxymethoxy-3-methyl-cyclohexene
CID 562417
2-[(1R,2R)-2-methoxy-4-methylcyclohex-3-en-1-yl]propan-2-ol
CID 21630980
2-[(1R,2S)-2-methoxy-4-methylcyclohex-3-en-1-yl]propan-2-ol
CID 21630981
1-(Methoxymethyl)-4-(1-methoxy-1-methyl-ethyl)-cyclohexene
CID 24976002
2-[(1S,5R)-5-methoxy-4-methylcyclohex-3-en-1-yl]propan-2-ol
CID 101665463

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]propan-2-ol?
The IUPAC name of 2-[4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]propan-2-ol (CID 542318) is 2-[4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]propan-2-ol.
What is the SMILES notation for 2-[4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]propan-2-ol?
The canonical SMILES for 2-[4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]propan-2-ol is COCOCC1=CCC(C(C)(C)O)CC1.
What is the InChIKey of 2-[4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]propan-2-ol?
The InChIKey is IZXCMUXHUDPZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-12(2,13)11-6-4-10(5-7-11)8-15-9-14-3/h4,11,13H,5-9H2,1-3H3.
What are the key properties of 2-[4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]propan-2-ol?
2-[4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]propan-2-ol has a molecular weight of 214.30 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]propan-2-ol is sourced from PubChem (CID 542318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).