(1R,2S,3R,5R)-3-pent-4-enylbicyclo[3.1.0]hexan-2-ol

C11H18O — CID 90442322

IUPAC(1R,2S,3R,5R)-3-pent-4-enylbicyclo[3.1.0]hexan-2-ol
SMILESC=CCCC[C@@H]1C[C@H]2C[C@H]2[C@H]1O
InChIInChI=1S/C11H18O/c1-2-3-4-5-8-6-9-7-10(9)11(8)12/h2,8-12H,1,3-7H2/t8-,9+,10-,11+/m1/s1
InChIKeyUOTFKMHGRBHGMA-YTWAJWBKSA-N
MW166.26 g/mol
LogP2.36
Rot. Bonds4

About (1R,2S,3R,5R)-3-pent-4-enylbicyclo[3.1.0]hexan-2-ol

(1R,2S,3R,5R)-3-pent-4-enylbicyclo[3.1.0]hexan-2-ol (PubChem CID 90442322) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-pent-4-enylbicyclo[3.1.0]hexan-2-ol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-pent-4-enylbicyclo[3.1.0]hexan-2-ol
PubChem CID90442322
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(1R,2S,3R,5R)-3-pent-4-enylbicyclo[3.1.0]hexan-2-ol
SMILESC=CCCC[C@@H]1C[C@H]2C[C@H]2[C@H]1O
InChIInChI=1S/C11H18O/c1-2-3-4-5-8-6-9-7-10(9)11(8)12/h2,8-12H,1,3-7H2/t8-,9+,10-,11+/m1/s1
InChIKeyUOTFKMHGRBHGMA-YTWAJWBKSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-pent-4-enylbicyclo[3.1.0]hexan-2-ol?
The IUPAC name of (1R,2S,3R,5R)-3-pent-4-enylbicyclo[3.1.0]hexan-2-ol (CID 90442322) is (1R,2S,3R,5R)-3-pent-4-enylbicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for (1R,2S,3R,5R)-3-pent-4-enylbicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for (1R,2S,3R,5R)-3-pent-4-enylbicyclo[3.1.0]hexan-2-ol is C=CCCC[C@@H]1C[C@H]2C[C@H]2[C@H]1O.
What is the InChIKey of (1R,2S,3R,5R)-3-pent-4-enylbicyclo[3.1.0]hexan-2-ol?
The InChIKey is UOTFKMHGRBHGMA-YTWAJWBKSA-N. The full InChI is InChI=1S/C11H18O/c1-2-3-4-5-8-6-9-7-10(9)11(8)12/h2,8-12H,1,3-7H2/t8-,9+,10-,11+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-pent-4-enylbicyclo[3.1.0]hexan-2-ol?
(1R,2S,3R,5R)-3-pent-4-enylbicyclo[3.1.0]hexan-2-ol has a molecular weight of 166.26 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-pent-4-enylbicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 90442322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).