(2R,3S,6S)-4-methylidene-2,6-dipropyloxan-3-ol

C12H22O2 — CID 101185874

IUPAC(2R,3S,6S)-4-methylidene-2,6-dipropyloxan-3-ol
SMILESC=C1C[C@H](CCC)O[C@H](CCC)[C@H]1O
InChIInChI=1S/C12H22O2/c1-4-6-10-8-9(3)12(13)11(14-10)7-5-2/h10-13H,3-8H2,1-2H3/t10-,11+,12-/m0/s1
InChIKeyFOHNEZXBIKTOSN-TUAOUCFPSA-N
MW198.31 g/mol
LogP2.66
Rot. Bonds4

About (2R,3S,6S)-4-methylidene-2,6-dipropyloxan-3-ol

(2R,3S,6S)-4-methylidene-2,6-dipropyloxan-3-ol (PubChem CID 101185874) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (2R,3S,6S)-4-methylidene-2,6-dipropyloxan-3-ol.

Molecular Properties

Compound Name(2R,3S,6S)-4-methylidene-2,6-dipropyloxan-3-ol
PubChem CID101185874
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(2R,3S,6S)-4-methylidene-2,6-dipropyloxan-3-ol
SMILESC=C1C[C@H](CCC)O[C@H](CCC)[C@H]1O
InChIInChI=1S/C12H22O2/c1-4-6-10-8-9(3)12(13)11(14-10)7-5-2/h10-13H,3-8H2,1-2H3/t10-,11+,12-/m0/s1
InChIKeyFOHNEZXBIKTOSN-TUAOUCFPSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.66
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 (2R,3S,6S)-4-methylidene-2,6-dipropyloxan-3-ol?
The IUPAC name of (2R,3S,6S)-4-methylidene-2,6-dipropyloxan-3-ol (CID 101185874) is (2R,3S,6S)-4-methylidene-2,6-dipropyloxan-3-ol.
What is the SMILES notation for (2R,3S,6S)-4-methylidene-2,6-dipropyloxan-3-ol?
The canonical SMILES for (2R,3S,6S)-4-methylidene-2,6-dipropyloxan-3-ol is C=C1C[C@H](CCC)O[C@H](CCC)[C@H]1O.
What is the InChIKey of (2R,3S,6S)-4-methylidene-2,6-dipropyloxan-3-ol?
The InChIKey is FOHNEZXBIKTOSN-TUAOUCFPSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-6-10-8-9(3)12(13)11(14-10)7-5-2/h10-13H,3-8H2,1-2H3/t10-,11+,12-/m0/s1.
What are the key properties of (2R,3S,6S)-4-methylidene-2,6-dipropyloxan-3-ol?
(2R,3S,6S)-4-methylidene-2,6-dipropyloxan-3-ol has a molecular weight of 198.31 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-4-methylidene-2,6-dipropyloxan-3-ol is sourced from PubChem (CID 101185874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).