1-(1-prop-2-enoxybutan-2-yloxy)cyclopentan-1-ol

C12H22O3 — CID 118312398

IUPAC1-(1-prop-2-enoxybutan-2-yloxy)cyclopentan-1-ol
SMILESC=CCOCC(CC)OC1(O)CCCC1
InChIInChI=1S/C12H22O3/c1-3-9-14-10-11(4-2)15-12(13)7-5-6-8-12/h3,11,13H,1,4-10H2,2H3
InChIKeyCDNPTPWTYNUMTH-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.25
Rot. Bonds7

About 1-(1-prop-2-enoxybutan-2-yloxy)cyclopentan-1-ol

1-(1-prop-2-enoxybutan-2-yloxy)cyclopentan-1-ol (PubChem CID 118312398) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 1-(1-prop-2-enoxybutan-2-yloxy)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(1-prop-2-enoxybutan-2-yloxy)cyclopentan-1-ol
PubChem CID118312398
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name1-(1-prop-2-enoxybutan-2-yloxy)cyclopentan-1-ol
SMILESC=CCOCC(CC)OC1(O)CCCC1
InChIInChI=1S/C12H22O3/c1-3-9-14-10-11(4-2)15-12(13)7-5-6-8-12/h3,11,13H,1,4-10H2,2H3
InChIKeyCDNPTPWTYNUMTH-UHFFFAOYSA-N
XLogP2.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.25
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-prop-2-enoxybutan-2-yloxy)cyclopentan-1-ol?
The IUPAC name of 1-(1-prop-2-enoxybutan-2-yloxy)cyclopentan-1-ol (CID 118312398) is 1-(1-prop-2-enoxybutan-2-yloxy)cyclopentan-1-ol.
What is the SMILES notation for 1-(1-prop-2-enoxybutan-2-yloxy)cyclopentan-1-ol?
The canonical SMILES for 1-(1-prop-2-enoxybutan-2-yloxy)cyclopentan-1-ol is C=CCOCC(CC)OC1(O)CCCC1.
What is the InChIKey of 1-(1-prop-2-enoxybutan-2-yloxy)cyclopentan-1-ol?
The InChIKey is CDNPTPWTYNUMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-3-9-14-10-11(4-2)15-12(13)7-5-6-8-12/h3,11,13H,1,4-10H2,2H3.
What are the key properties of 1-(1-prop-2-enoxybutan-2-yloxy)cyclopentan-1-ol?
1-(1-prop-2-enoxybutan-2-yloxy)cyclopentan-1-ol has a molecular weight of 214.30 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-prop-2-enoxybutan-2-yloxy)cyclopentan-1-ol is sourced from PubChem (CID 118312398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).