(2R)-1,1-dimethoxypent-4-en-2-ol

C7H14O3 — CID 102353171

IUPAC(2R)-1,1-dimethoxypent-4-en-2-ol
SMILESC=CC[C@@H](O)C(OC)OC
InChIInChI=1S/C7H14O3/c1-4-5-6(8)7(9-2)10-3/h4,6-8H,1,5H2,2-3H3/t6-/m1/s1
InChIKeyFIIWUWIGTWXXSP-ZCFIWIBFSA-N
MW146.19 g/mol
LogP0.54
Rot. Bonds5

About (2R)-1,1-dimethoxypent-4-en-2-ol

(2R)-1,1-dimethoxypent-4-en-2-ol (PubChem CID 102353171) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (2R)-1,1-dimethoxypent-4-en-2-ol.

Molecular Properties

Compound Name(2R)-1,1-dimethoxypent-4-en-2-ol
PubChem CID102353171
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(2R)-1,1-dimethoxypent-4-en-2-ol
SMILESC=CC[C@@H](O)C(OC)OC
InChIInChI=1S/C7H14O3/c1-4-5-6(8)7(9-2)10-3/h4,6-8H,1,5H2,2-3H3/t6-/m1/s1
InChIKeyFIIWUWIGTWXXSP-ZCFIWIBFSA-N
XLogP0.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Epoxy-4-pentenol
CID 57188836
(2S,3R,4S)-2-methoxy-3,4-dihydro-2H-pyran-3,4-diol
CID 130760786
(2S,3R)-3-(methoxymethoxy)pent-4-en-2-ol
CID 10986376
2-Hydroxy-1,1-dimethoxypent-4-ene
CID 10329416
1,1-Dimethoxybut-3-en-2-ol
CID 10374499
(2R,3S)-3-(methoxymethoxy)pent-4-en-2-ol
CID 12916896
2-Ethoxypent-4-en-1-ol
CID 20327498
1-Methoxy-4-penten-2-ol
CID 22966968
(R)-2-[(2-methoxyethoxy)methoxy]pent-4-en-1-ol
CID 25128745
1-Ethoxypent-4-en-2-ol
CID 54268128
(2R)-1-methoxypent-4-en-2-ol
CID 58405982
3,4-dihydro-2H-pyran-2,3-diol
CID 67747225

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1-dimethoxypent-4-en-2-ol?
The IUPAC name of (2R)-1,1-dimethoxypent-4-en-2-ol (CID 102353171) is (2R)-1,1-dimethoxypent-4-en-2-ol.
What is the SMILES notation for (2R)-1,1-dimethoxypent-4-en-2-ol?
The canonical SMILES for (2R)-1,1-dimethoxypent-4-en-2-ol is C=CC[C@@H](O)C(OC)OC.
What is the InChIKey of (2R)-1,1-dimethoxypent-4-en-2-ol?
The InChIKey is FIIWUWIGTWXXSP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14O3/c1-4-5-6(8)7(9-2)10-3/h4,6-8H,1,5H2,2-3H3/t6-/m1/s1.
What are the key properties of (2R)-1,1-dimethoxypent-4-en-2-ol?
(2R)-1,1-dimethoxypent-4-en-2-ol has a molecular weight of 146.19 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1-dimethoxypent-4-en-2-ol is sourced from PubChem (CID 102353171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).