[(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-1-yl]methanol

C10H16O2 — CID 11019262

IUPAC[(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-1-yl]methanol
SMILESC=C(C)[C@H]1CC[C@]2(CO)O[C@@H]2C1
InChIInChI=1S/C10H16O2/c1-7(2)8-3-4-10(6-11)9(5-8)12-10/h8-9,11H,1,3-6H2,2H3/t8-,9+,10+/m0/s1
InChIKeyMSTUUVINZUFLPE-IVZWLZJFSA-N
MW168.24 g/mol
LogP1.49
Rot. Bonds2

About [(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-1-yl]methanol

[(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-1-yl]methanol (PubChem CID 11019262) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is [(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-1-yl]methanol
PubChem CID11019262
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name[(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-1-yl]methanol
SMILESC=C(C)[C@H]1CC[C@]2(CO)O[C@@H]2C1
InChIInChI=1S/C10H16O2/c1-7(2)8-3-4-10(6-11)9(5-8)12-10/h8-9,11H,1,3-6H2,2H3/t8-,9+,10+/m0/s1
InChIKeyMSTUUVINZUFLPE-IVZWLZJFSA-N
XLogP1.49
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-1-yl]methyl 2,2-dimethylpropanoate
CID 10467396
(1aS,3aR,6R,7aS,7bR)-3a,7b-dimethyl-6-prop-1-en-2-yl-1a,2,3,4,5,6,7,7a-octahydronaphtho[1,2-b]oxirene
CID 11127822
9-oxabicyclo[6.1.0]nonan-1-ylmethanol
CID 130147678
6-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid
CID 150491249
[(1S,4aS,7R,8aS)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]methanol
CID 10609881
(6-propyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl 6-propyl-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 23345868
(1S,2R,4S)-1-methyl-4-prop-1-en-2-ylcyclohexane-1,2-diol
CID 86310295
(1S,3R,6R,8S,9S)-3,9-dimethyl-6-prop-1-en-2-yl-2-oxatricyclo[6.3.0.01,3]undecane
CID 11117572
1-methyl-4-(6-methylhepta-1,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane
CID 527060
(4aR,6S,8aR)-8a-methyl-6-prop-1-en-2-yl-3,4a,5,6,7,8-hexahydro-2H-benzo[b][1,4]oxathiine
CID 101418903
6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.2.0]octan-8-one
CID 164910073
(1S,3aS,4R,7S,8aS)-1,4-dimethyl-7-prop-1-en-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-diol
CID 71719409

Frequently Asked Questions

What is the IUPAC name of [(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-1-yl]methanol?
The IUPAC name of [(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-1-yl]methanol (CID 11019262) is [(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-1-yl]methanol.
What is the SMILES notation for [(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-1-yl]methanol?
The canonical SMILES for [(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-1-yl]methanol is C=C(C)[C@H]1CC[C@]2(CO)O[C@@H]2C1.
What is the InChIKey of [(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-1-yl]methanol?
The InChIKey is MSTUUVINZUFLPE-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(2)8-3-4-10(6-11)9(5-8)12-10/h8-9,11H,1,3-6H2,2H3/t8-,9+,10+/m0/s1.
What are the key properties of [(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-1-yl]methanol?
[(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-1-yl]methanol has a molecular weight of 168.24 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-1-yl]methanol is sourced from PubChem (CID 11019262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).