(1R,11R)-13-(2,3-dihydrofuran-5-yl)bicyclo[9.3.1]pentadecan-13-ol

C19H32O2 — CID 14686605

IUPAC(1R,11R)-13-(2,3-dihydrofuran-5-yl)bicyclo[9.3.1]pentadecan-13-ol
SMILESOC1(C2=CCCO2)C[C@@H]2CCCCCCCCC[C@H](C2)C1
InChIInChI=1S/C19H32O2/c20-19(18-11-8-12-21-18)14-16-9-6-4-2-1-3-5-7-10-17(13-16)15-19/h11,16-17,20H,1-10,12-15H2/t16-,17-/m1/s1
InChIKeyASMMXFZUWPAUCW-IAGOWNOFSA-N
MW292.46 g/mol
LogP4.96
Rot. Bonds1

About (1R,11R)-13-(2,3-dihydrofuran-5-yl)bicyclo[9.3.1]pentadecan-13-ol

(1R,11R)-13-(2,3-dihydrofuran-5-yl)bicyclo[9.3.1]pentadecan-13-ol (PubChem CID 14686605) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is (1R,11R)-13-(2,3-dihydrofuran-5-yl)bicyclo[9.3.1]pentadecan-13-ol.

Molecular Properties

Compound Name(1R,11R)-13-(2,3-dihydrofuran-5-yl)bicyclo[9.3.1]pentadecan-13-ol
PubChem CID14686605
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name(1R,11R)-13-(2,3-dihydrofuran-5-yl)bicyclo[9.3.1]pentadecan-13-ol
SMILESOC1(C2=CCCO2)C[C@@H]2CCCCCCCCC[C@H](C2)C1
InChIInChI=1S/C19H32O2/c20-19(18-11-8-12-21-18)14-16-9-6-4-2-1-3-5-7-10-17(13-16)15-19/h11,16-17,20H,1-10,12-15H2/t16-,17-/m1/s1
InChIKeyASMMXFZUWPAUCW-IAGOWNOFSA-N
XLogP4.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,11R)-13-(2,3-dihydrofuran-5-yl)bicyclo[9.3.1]pentadecan-13-ol?
The IUPAC name of (1R,11R)-13-(2,3-dihydrofuran-5-yl)bicyclo[9.3.1]pentadecan-13-ol (CID 14686605) is (1R,11R)-13-(2,3-dihydrofuran-5-yl)bicyclo[9.3.1]pentadecan-13-ol.
What is the SMILES notation for (1R,11R)-13-(2,3-dihydrofuran-5-yl)bicyclo[9.3.1]pentadecan-13-ol?
The canonical SMILES for (1R,11R)-13-(2,3-dihydrofuran-5-yl)bicyclo[9.3.1]pentadecan-13-ol is OC1(C2=CCCO2)C[C@@H]2CCCCCCCCC[C@H](C2)C1.
What is the InChIKey of (1R,11R)-13-(2,3-dihydrofuran-5-yl)bicyclo[9.3.1]pentadecan-13-ol?
The InChIKey is ASMMXFZUWPAUCW-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H32O2/c20-19(18-11-8-12-21-18)14-16-9-6-4-2-1-3-5-7-10-17(13-16)15-19/h11,16-17,20H,1-10,12-15H2/t16-,17-/m1/s1.
What are the key properties of (1R,11R)-13-(2,3-dihydrofuran-5-yl)bicyclo[9.3.1]pentadecan-13-ol?
(1R,11R)-13-(2,3-dihydrofuran-5-yl)bicyclo[9.3.1]pentadecan-13-ol has a molecular weight of 292.46 g/mol, XLogP of 4.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,11R)-13-(2,3-dihydrofuran-5-yl)bicyclo[9.3.1]pentadecan-13-ol is sourced from PubChem (CID 14686605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).