(1R,5S)-4-methylidene-2-oxabicyclo[3.2.0]heptan-5-ol

C7H10O2 — CID 10510863

IUPAC(1R,5S)-4-methylidene-2-oxabicyclo[3.2.0]heptan-5-ol
SMILESC=C1CO[C@@H]2CC[C@]12O
InChIInChI=1S/C7H10O2/c1-5-4-9-6-2-3-7(5,6)8/h6,8H,1-4H2/t6-,7+/m1/s1
InChIKeyVVJCMHPKYGWEHR-RQJHMYQMSA-N
MW126.16 g/mol
LogP0.47
Rot. Bonds

About (1R,5S)-4-methylidene-2-oxabicyclo[3.2.0]heptan-5-ol

(1R,5S)-4-methylidene-2-oxabicyclo[3.2.0]heptan-5-ol (PubChem CID 10510863) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is (1R,5S)-4-methylidene-2-oxabicyclo[3.2.0]heptan-5-ol.

Molecular Properties

Compound Name(1R,5S)-4-methylidene-2-oxabicyclo[3.2.0]heptan-5-ol
PubChem CID10510863
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name(1R,5S)-4-methylidene-2-oxabicyclo[3.2.0]heptan-5-ol
SMILESC=C1CO[C@@H]2CC[C@]12O
InChIInChI=1S/C7H10O2/c1-5-4-9-6-2-3-7(5,6)8/h6,8H,1-4H2/t6-,7+/m1/s1
InChIKeyVVJCMHPKYGWEHR-RQJHMYQMSA-N
XLogP0.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.47
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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CID 102328993
(3aS,7aR)-3-methylidene-3a-nitro-5,6,7,7a-tetrahydro-4H-1-benzofuran
CID 102299700
(1S,6S,8R,15R)-3,8,12-trimethyl-16-methylidene-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11-dien-15-ol
CID 162869434
3-(tributylstannylmethylidene)-5,6,7,7a-tetrahydro-4H-1-benzofuran-3a-ol
CID 71336990
(3aS,6R,7S,7aR)-6-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-1-benzofuran-6,7-diol
CID 11367414
7-methylidenebicyclo[3.2.0]heptan-1-ol
CID 131852208
(3aS,6R,10R,11S,15aR)-6,10,14-trimethyl-3-methylidene-5,9,11,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-3a,6,10,11-tetrol
CID 162976911
(3aR,6R,7E,10S,11R,14E,15aS)-6,10,14-trimethyl-3-methylidene-5,9,11,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-3a,6,10,11-tetrol
CID 72945528
1-[(2R)-oxiran-2-yl]cyclopropan-1-ol
CID 102424784
(3aS,6S)-3-methoxy-3,4,5,6-tetrahydro-1H-2-benzofuran-3a,6-diol
CID 101044257
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CID 139878669

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-4-methylidene-2-oxabicyclo[3.2.0]heptan-5-ol?
The IUPAC name of (1R,5S)-4-methylidene-2-oxabicyclo[3.2.0]heptan-5-ol (CID 10510863) is (1R,5S)-4-methylidene-2-oxabicyclo[3.2.0]heptan-5-ol.
What is the SMILES notation for (1R,5S)-4-methylidene-2-oxabicyclo[3.2.0]heptan-5-ol?
The canonical SMILES for (1R,5S)-4-methylidene-2-oxabicyclo[3.2.0]heptan-5-ol is C=C1CO[C@@H]2CC[C@]12O.
What is the InChIKey of (1R,5S)-4-methylidene-2-oxabicyclo[3.2.0]heptan-5-ol?
The InChIKey is VVJCMHPKYGWEHR-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H10O2/c1-5-4-9-6-2-3-7(5,6)8/h6,8H,1-4H2/t6-,7+/m1/s1.
What are the key properties of (1R,5S)-4-methylidene-2-oxabicyclo[3.2.0]heptan-5-ol?
(1R,5S)-4-methylidene-2-oxabicyclo[3.2.0]heptan-5-ol has a molecular weight of 126.16 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-4-methylidene-2-oxabicyclo[3.2.0]heptan-5-ol is sourced from PubChem (CID 10510863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).