(2R)-1-[3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol

C17H28O3 — CID 142483283

IUPAC(2R)-1-[3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol
SMILESC=C1CC(C)OC1CCC1CCC(=C)C(C[C@@H](C)O)O1
InChIInChI=1S/C17H28O3/c1-11-5-6-15(20-17(11)10-13(3)18)7-8-16-12(2)9-14(4)19-16/h13-18H,1-2,5-10H2,3-4H3/t13-,14?,15?,16?,17?/m1/s1
InChIKeyOOUWTPBWQRDUNO-CWJHNBGESA-N
MW280.41 g/mol
LogP3.37
Rot. Bonds5

About (2R)-1-[3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol

(2R)-1-[3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol (PubChem CID 142483283) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is (2R)-1-[3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol
PubChem CID142483283
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name(2R)-1-[3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol
SMILESC=C1CC(C)OC1CCC1CCC(=C)C(C[C@@H](C)O)O1
InChIInChI=1S/C17H28O3/c1-11-5-6-15(20-17(11)10-13(3)18)7-8-16-12(2)9-14(4)19-16/h13-18H,1-2,5-10H2,3-4H3/t13-,14?,15?,16?,17?/m1/s1
InChIKeyOOUWTPBWQRDUNO-CWJHNBGESA-N
XLogP3.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
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 (2R)-1-[3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol?
The IUPAC name of (2R)-1-[3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol (CID 142483283) is (2R)-1-[3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol is C=C1CC(C)OC1CCC1CCC(=C)C(C[C@@H](C)O)O1.
What is the InChIKey of (2R)-1-[3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol?
The InChIKey is OOUWTPBWQRDUNO-CWJHNBGESA-N. The full InChI is InChI=1S/C17H28O3/c1-11-5-6-15(20-17(11)10-13(3)18)7-8-16-12(2)9-14(4)19-16/h13-18H,1-2,5-10H2,3-4H3/t13-,14?,15?,16?,17?/m1/s1.
What are the key properties of (2R)-1-[3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol?
(2R)-1-[3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol has a molecular weight of 280.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol is sourced from PubChem (CID 142483283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).