2-(3,3-diethoxyprop-1-en-2-yl)cyclopent-3-en-1-ol

C12H20O3 — CID 134901682

IUPAC2-(3,3-diethoxyprop-1-en-2-yl)cyclopent-3-en-1-ol
SMILESC=C(C(OCC)OCC)C1C=CCC1O
InChIInChI=1S/C12H20O3/c1-4-14-12(15-5-2)9(3)10-7-6-8-11(10)13/h6-7,10-13H,3-5,8H2,1-2H3
InChIKeySIRFGSQOTHVERA-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.88
Rot. Bonds6

About 2-(3,3-diethoxyprop-1-en-2-yl)cyclopent-3-en-1-ol

2-(3,3-diethoxyprop-1-en-2-yl)cyclopent-3-en-1-ol (PubChem CID 134901682) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(3,3-diethoxyprop-1-en-2-yl)cyclopent-3-en-1-ol.

Molecular Properties

Compound Name2-(3,3-diethoxyprop-1-en-2-yl)cyclopent-3-en-1-ol
PubChem CID134901682
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-(3,3-diethoxyprop-1-en-2-yl)cyclopent-3-en-1-ol
SMILESC=C(C(OCC)OCC)C1C=CCC1O
InChIInChI=1S/C12H20O3/c1-4-14-12(15-5-2)9(3)10-7-6-8-11(10)13/h6-7,10-13H,3-5,8H2,1-2H3
InChIKeySIRFGSQOTHVERA-UHFFFAOYSA-N
XLogP1.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.88
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

(2S,3S,3aR,4S,6E,10E,11aS)-2-methoxy-3,6,10-trimethyl-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-ol
CID 162928645
(2S,3aS,6Z,10E,11aS)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-ol
CID 162981569
(2S,3aS,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-ol
CID 163191300
2-Hydroxy-4-methyl-5-propenyloxolane
CID 85859623
2-(3,3-Diethoxyprop-1-en-2-yl)cyclohex-3-en-1-ol
CID 134901618
2-(3,3-Diethoxyprop-1-en-2-yl)cyclohept-3-en-1-ol
CID 134901645
4-(3,3-Diethoxyprop-1-en-2-yl)cyclopent-2-en-1-ol
CID 134981038
4-(3,3-Diethoxyprop-1-en-2-yl)cyclohex-2-en-1-ol
CID 134981319
[(1s,2r,5s)-5-(Methoxymethoxy)cyclopent-3-ene-1,2-diyl]dimethanol
CID 172645646
7-Oxabicyclo[2.2.1]hept-5-en-2-yl(propoxy)methanol
CID 18710515
3,7-Dimethyl-4-[(1-ethoxyethoxy)]-6-octen-1-ol
CID 23341452
3,7-Dimethyl-4-(oxan-2-yloxy)oct-6-en-1-ol
CID 23341453

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diethoxyprop-1-en-2-yl)cyclopent-3-en-1-ol?
The IUPAC name of 2-(3,3-diethoxyprop-1-en-2-yl)cyclopent-3-en-1-ol (CID 134901682) is 2-(3,3-diethoxyprop-1-en-2-yl)cyclopent-3-en-1-ol.
What is the SMILES notation for 2-(3,3-diethoxyprop-1-en-2-yl)cyclopent-3-en-1-ol?
The canonical SMILES for 2-(3,3-diethoxyprop-1-en-2-yl)cyclopent-3-en-1-ol is C=C(C(OCC)OCC)C1C=CCC1O.
What is the InChIKey of 2-(3,3-diethoxyprop-1-en-2-yl)cyclopent-3-en-1-ol?
The InChIKey is SIRFGSQOTHVERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-4-14-12(15-5-2)9(3)10-7-6-8-11(10)13/h6-7,10-13H,3-5,8H2,1-2H3.
What are the key properties of 2-(3,3-diethoxyprop-1-en-2-yl)cyclopent-3-en-1-ol?
2-(3,3-diethoxyprop-1-en-2-yl)cyclopent-3-en-1-ol has a molecular weight of 212.29 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diethoxyprop-1-en-2-yl)cyclopent-3-en-1-ol is sourced from PubChem (CID 134901682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).