(1R,5E,9R)-9-[(2R)-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-pyran-5-yl]-6-methyl-2-methylidenecyclodec-5-en-1-ol

C20H32O3 — CID 54582432

IUPAC(1R,5E,9R)-9-[(2R)-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-pyran-5-yl]-6-methyl-2-methylidenecyclodec-5-en-1-ol
SMILESC=C1CC/C=C(\C)CC[C@@H](C2=CC[C@H](C(C)(C)O)OC2)C[C@H]1O
InChIInChI=1S/C20H32O3/c1-14-6-5-7-15(2)18(21)12-16(9-8-14)17-10-11-19(23-13-17)20(3,4)22/h6,10,16,18-19,21-22H,2,5,7-9,11-13H2,1,3-4H3/b14-6+/t16-,18-,19-/m1/s1
InChIKeyUQFRWBRHRWRNEJ-SHMZWRJYSA-N
MW320.47 g/mol
LogP3.92
Rot. Bonds2

About (1R,5E,9R)-9-[(2R)-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-pyran-5-yl]-6-methyl-2-methylidenecyclodec-5-en-1-ol

(1R,5E,9R)-9-[(2R)-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-pyran-5-yl]-6-methyl-2-methylidenecyclodec-5-en-1-ol (PubChem CID 54582432) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is (1R,5E,9R)-9-[(2R)-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-pyran-5-yl]-6-methyl-2-methylidenecyclodec-5-en-1-ol.

Molecular Properties

Compound Name(1R,5E,9R)-9-[(2R)-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-pyran-5-yl]-6-methyl-2-methylidenecyclodec-5-en-1-ol
PubChem CID54582432
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name(1R,5E,9R)-9-[(2R)-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-pyran-5-yl]-6-methyl-2-methylidenecyclodec-5-en-1-ol
SMILESC=C1CC/C=C(\C)CC[C@@H](C2=CC[C@H](C(C)(C)O)OC2)C[C@H]1O
InChIInChI=1S/C20H32O3/c1-14-6-5-7-15(2)18(21)12-16(9-8-14)17-10-11-19(23-13-17)20(3,4)22/h6,10,16,18-19,21-22H,2,5,7-9,11-13H2,1,3-4H3/b14-6+/t16-,18-,19-/m1/s1
InChIKeyUQFRWBRHRWRNEJ-SHMZWRJYSA-N
XLogP3.92
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (1R,5E,9R)-9-[(2R)-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-pyran-5-yl]-6-methyl-2-methylidenecyclodec-5-en-1-ol?
The IUPAC name of (1R,5E,9R)-9-[(2R)-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-pyran-5-yl]-6-methyl-2-methylidenecyclodec-5-en-1-ol (CID 54582432) is (1R,5E,9R)-9-[(2R)-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-pyran-5-yl]-6-methyl-2-methylidenecyclodec-5-en-1-ol.
What is the SMILES notation for (1R,5E,9R)-9-[(2R)-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-pyran-5-yl]-6-methyl-2-methylidenecyclodec-5-en-1-ol?
The canonical SMILES for (1R,5E,9R)-9-[(2R)-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-pyran-5-yl]-6-methyl-2-methylidenecyclodec-5-en-1-ol is C=C1CC/C=C(\C)CC[C@@H](C2=CC[C@H](C(C)(C)O)OC2)C[C@H]1O.
What is the InChIKey of (1R,5E,9R)-9-[(2R)-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-pyran-5-yl]-6-methyl-2-methylidenecyclodec-5-en-1-ol?
The InChIKey is UQFRWBRHRWRNEJ-SHMZWRJYSA-N. The full InChI is InChI=1S/C20H32O3/c1-14-6-5-7-15(2)18(21)12-16(9-8-14)17-10-11-19(23-13-17)20(3,4)22/h6,10,16,18-19,21-22H,2,5,7-9,11-13H2,1,3-4H3/b14-6+/t16-,18-,19-/m1/s1.
What are the key properties of (1R,5E,9R)-9-[(2R)-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-pyran-5-yl]-6-methyl-2-methylidenecyclodec-5-en-1-ol?
(1R,5E,9R)-9-[(2R)-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-pyran-5-yl]-6-methyl-2-methylidenecyclodec-5-en-1-ol has a molecular weight of 320.47 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5E,9R)-9-[(2R)-2-(2-hydroxypropan-2-yl)-3,6-dihydro-2H-pyran-5-yl]-6-methyl-2-methylidenecyclodec-5-en-1-ol is sourced from PubChem (CID 54582432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).