1-[2,2-bis(prop-2-enyl)-3,4-dihydropyran-6-yl]cyclobutan-1-ol

C15H22O2 — CID 44541397

IUPAC1-[2,2-bis(prop-2-enyl)-3,4-dihydropyran-6-yl]cyclobutan-1-ol
SMILESC=CCC1(CC=C)CCC=C(C2(O)CCC2)O1
InChIInChI=1S/C15H22O2/c1-3-8-14(9-4-2)10-5-7-13(17-14)15(16)11-6-12-15/h3-4,7,16H,1-2,5-6,8-12H2
InChIKeyALUTXIDPNTVZQL-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.49
Rot. Bonds5

About 1-[2,2-bis(prop-2-enyl)-3,4-dihydropyran-6-yl]cyclobutan-1-ol

1-[2,2-bis(prop-2-enyl)-3,4-dihydropyran-6-yl]cyclobutan-1-ol (PubChem CID 44541397) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[2,2-bis(prop-2-enyl)-3,4-dihydropyran-6-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[2,2-bis(prop-2-enyl)-3,4-dihydropyran-6-yl]cyclobutan-1-ol
PubChem CID44541397
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-[2,2-bis(prop-2-enyl)-3,4-dihydropyran-6-yl]cyclobutan-1-ol
SMILESC=CCC1(CC=C)CCC=C(C2(O)CCC2)O1
InChIInChI=1S/C15H22O2/c1-3-8-14(9-4-2)10-5-7-13(17-14)15(16)11-6-12-15/h3-4,7,16H,1-2,5-6,8-12H2
InChIKeyALUTXIDPNTVZQL-UHFFFAOYSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(prop-2-enyl)-3,4-dihydropyran-6-yl]cyclobutan-1-ol?
The IUPAC name of 1-[2,2-bis(prop-2-enyl)-3,4-dihydropyran-6-yl]cyclobutan-1-ol (CID 44541397) is 1-[2,2-bis(prop-2-enyl)-3,4-dihydropyran-6-yl]cyclobutan-1-ol.
What is the SMILES notation for 1-[2,2-bis(prop-2-enyl)-3,4-dihydropyran-6-yl]cyclobutan-1-ol?
The canonical SMILES for 1-[2,2-bis(prop-2-enyl)-3,4-dihydropyran-6-yl]cyclobutan-1-ol is C=CCC1(CC=C)CCC=C(C2(O)CCC2)O1.
What is the InChIKey of 1-[2,2-bis(prop-2-enyl)-3,4-dihydropyran-6-yl]cyclobutan-1-ol?
The InChIKey is ALUTXIDPNTVZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-3-8-14(9-4-2)10-5-7-13(17-14)15(16)11-6-12-15/h3-4,7,16H,1-2,5-6,8-12H2.
What are the key properties of 1-[2,2-bis(prop-2-enyl)-3,4-dihydropyran-6-yl]cyclobutan-1-ol?
1-[2,2-bis(prop-2-enyl)-3,4-dihydropyran-6-yl]cyclobutan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(prop-2-enyl)-3,4-dihydropyran-6-yl]cyclobutan-1-ol is sourced from PubChem (CID 44541397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).