(2R)-1-[4-methyl-3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol

C18H30O3 — CID 154993863

IUPAC(2R)-1-[4-methyl-3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol
SMILESC=C1CC(C)OC1CCC1CC(C)C(=C)C(C[C@@H](C)O)O1
InChIInChI=1S/C18H30O3/c1-11-9-16(21-18(15(11)5)10-13(3)19)6-7-17-12(2)8-14(4)20-17/h11,13-14,16-19H,2,5-10H2,1,3-4H3/t11?,13-,14?,16?,17?,18?/m1/s1
InChIKeyUVSVFZSLNJBSGJ-NDFRPVCHSA-N
MW294.44 g/mol
LogP3.62
Rot. Bonds5

About (2R)-1-[4-methyl-3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol

(2R)-1-[4-methyl-3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol (PubChem CID 154993863) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is (2R)-1-[4-methyl-3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-methyl-3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol
PubChem CID154993863
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name(2R)-1-[4-methyl-3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol
SMILESC=C1CC(C)OC1CCC1CC(C)C(=C)C(C[C@@H](C)O)O1
InChIInChI=1S/C18H30O3/c1-11-9-16(21-18(15(11)5)10-13(3)19)6-7-17-12(2)8-14(4)20-17/h11,13-14,16-19H,2,5-10H2,1,3-4H3/t11?,13-,14?,16?,17?,18?/m1/s1
InChIKeyUVSVFZSLNJBSGJ-NDFRPVCHSA-N
XLogP3.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.62
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-[4-methyl-3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-methyl-3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol (CID 154993863) is (2R)-1-[4-methyl-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-[4-methyl-3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-methyl-3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol is C=C1CC(C)OC1CCC1CC(C)C(=C)C(C[C@@H](C)O)O1.
What is the InChIKey of (2R)-1-[4-methyl-3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol?
The InChIKey is UVSVFZSLNJBSGJ-NDFRPVCHSA-N. The full InChI is InChI=1S/C18H30O3/c1-11-9-16(21-18(15(11)5)10-13(3)19)6-7-17-12(2)8-14(4)20-17/h11,13-14,16-19H,2,5-10H2,1,3-4H3/t11?,13-,14?,16?,17?,18?/m1/s1.
What are the key properties of (2R)-1-[4-methyl-3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol?
(2R)-1-[4-methyl-3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol has a molecular weight of 294.44 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-methyl-3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol is sourced from PubChem (CID 154993863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).