(3R)-5-methylidene-2,2-bis(prop-2-enyl)oxan-3-ol

C12H18O2 — CID 135057059

IUPAC(3R)-5-methylidene-2,2-bis(prop-2-enyl)oxan-3-ol
SMILESC=CCC1(CC=C)OCC(=C)C[C@H]1O
InChIInChI=1S/C12H18O2/c1-4-6-12(7-5-2)11(13)8-10(3)9-14-12/h4-5,11,13H,1-3,6-9H2/t11-/m1/s1
InChIKeyFLQPJJBHGGKHOD-LLVKDONJSA-N
MW194.27 g/mol
LogP2.21
Rot. Bonds4

About (3R)-5-methylidene-2,2-bis(prop-2-enyl)oxan-3-ol

(3R)-5-methylidene-2,2-bis(prop-2-enyl)oxan-3-ol (PubChem CID 135057059) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (3R)-5-methylidene-2,2-bis(prop-2-enyl)oxan-3-ol.

Molecular Properties

Compound Name(3R)-5-methylidene-2,2-bis(prop-2-enyl)oxan-3-ol
PubChem CID135057059
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(3R)-5-methylidene-2,2-bis(prop-2-enyl)oxan-3-ol
SMILESC=CCC1(CC=C)OCC(=C)C[C@H]1O
InChIInChI=1S/C12H18O2/c1-4-6-12(7-5-2)11(13)8-10(3)9-14-12/h4-5,11,13H,1-3,6-9H2/t11-/m1/s1
InChIKeyFLQPJJBHGGKHOD-LLVKDONJSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.21
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 (3R)-5-methylidene-2,2-bis(prop-2-enyl)oxan-3-ol?
The IUPAC name of (3R)-5-methylidene-2,2-bis(prop-2-enyl)oxan-3-ol (CID 135057059) is (3R)-5-methylidene-2,2-bis(prop-2-enyl)oxan-3-ol.
What is the SMILES notation for (3R)-5-methylidene-2,2-bis(prop-2-enyl)oxan-3-ol?
The canonical SMILES for (3R)-5-methylidene-2,2-bis(prop-2-enyl)oxan-3-ol is C=CCC1(CC=C)OCC(=C)C[C@H]1O.
What is the InChIKey of (3R)-5-methylidene-2,2-bis(prop-2-enyl)oxan-3-ol?
The InChIKey is FLQPJJBHGGKHOD-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-6-12(7-5-2)11(13)8-10(3)9-14-12/h4-5,11,13H,1-3,6-9H2/t11-/m1/s1.
What are the key properties of (3R)-5-methylidene-2,2-bis(prop-2-enyl)oxan-3-ol?
(3R)-5-methylidene-2,2-bis(prop-2-enyl)oxan-3-ol has a molecular weight of 194.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-methylidene-2,2-bis(prop-2-enyl)oxan-3-ol is sourced from PubChem (CID 135057059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).