(2R,6Z)-5-methyl-2-[(1R)-2-methylidenecyclopropyl]-2,3,4,8-tetrahydrooxocin-5-ol

C12H18O2 — CID 101339280

IUPAC(2R,6Z)-5-methyl-2-[(1R)-2-methylidenecyclopropyl]-2,3,4,8-tetrahydrooxocin-5-ol
SMILESC=C1C[C@H]1[C@H]1CCC(C)(O)/C=C\CO1
InChIInChI=1S/C12H18O2/c1-9-8-10(9)11-4-6-12(2,13)5-3-7-14-11/h3,5,10-11,13H,1,4,6-8H2,2H3/b5-3-/t10-,11-,12?/m1/s1
InChIKeyPFODIUSASZQMIT-ZTJZLLGJSA-N
MW194.27 g/mol
LogP2.05
Rot. Bonds1

About (2R,6Z)-5-methyl-2-[(1R)-2-methylidenecyclopropyl]-2,3,4,8-tetrahydrooxocin-5-ol

(2R,6Z)-5-methyl-2-[(1R)-2-methylidenecyclopropyl]-2,3,4,8-tetrahydrooxocin-5-ol (PubChem CID 101339280) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (2R,6Z)-5-methyl-2-[(1R)-2-methylidenecyclopropyl]-2,3,4,8-tetrahydrooxocin-5-ol.

Molecular Properties

Compound Name(2R,6Z)-5-methyl-2-[(1R)-2-methylidenecyclopropyl]-2,3,4,8-tetrahydrooxocin-5-ol
PubChem CID101339280
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(2R,6Z)-5-methyl-2-[(1R)-2-methylidenecyclopropyl]-2,3,4,8-tetrahydrooxocin-5-ol
SMILESC=C1C[C@H]1[C@H]1CCC(C)(O)/C=C\CO1
InChIInChI=1S/C12H18O2/c1-9-8-10(9)11-4-6-12(2,13)5-3-7-14-11/h3,5,10-11,13H,1,4,6-8H2,2H3/b5-3-/t10-,11-,12?/m1/s1
InChIKeyPFODIUSASZQMIT-ZTJZLLGJSA-N
XLogP2.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R,6Z)-5-methyl-2-[(1R)-2-methylidenecyclopropyl]-2,3,4,8-tetrahydrooxocin-5-ol?
The IUPAC name of (2R,6Z)-5-methyl-2-[(1R)-2-methylidenecyclopropyl]-2,3,4,8-tetrahydrooxocin-5-ol (CID 101339280) is (2R,6Z)-5-methyl-2-[(1R)-2-methylidenecyclopropyl]-2,3,4,8-tetrahydrooxocin-5-ol.
What is the SMILES notation for (2R,6Z)-5-methyl-2-[(1R)-2-methylidenecyclopropyl]-2,3,4,8-tetrahydrooxocin-5-ol?
The canonical SMILES for (2R,6Z)-5-methyl-2-[(1R)-2-methylidenecyclopropyl]-2,3,4,8-tetrahydrooxocin-5-ol is C=C1C[C@H]1[C@H]1CCC(C)(O)/C=C\CO1.
What is the InChIKey of (2R,6Z)-5-methyl-2-[(1R)-2-methylidenecyclopropyl]-2,3,4,8-tetrahydrooxocin-5-ol?
The InChIKey is PFODIUSASZQMIT-ZTJZLLGJSA-N. The full InChI is InChI=1S/C12H18O2/c1-9-8-10(9)11-4-6-12(2,13)5-3-7-14-11/h3,5,10-11,13H,1,4,6-8H2,2H3/b5-3-/t10-,11-,12?/m1/s1.
What are the key properties of (2R,6Z)-5-methyl-2-[(1R)-2-methylidenecyclopropyl]-2,3,4,8-tetrahydrooxocin-5-ol?
(2R,6Z)-5-methyl-2-[(1R)-2-methylidenecyclopropyl]-2,3,4,8-tetrahydrooxocin-5-ol has a molecular weight of 194.27 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6Z)-5-methyl-2-[(1R)-2-methylidenecyclopropyl]-2,3,4,8-tetrahydrooxocin-5-ol is sourced from PubChem (CID 101339280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).