(1R,2R,5S)-6-ethylbicyclo[3.1.0]hexan-2-ol;(2R)-2-[(Z)-hex-3-enyl]oxirane

C16H28O2 — CID 161257720

IUPAC(1R,2R,5S)-6-ethylbicyclo[3.1.0]hexan-2-ol;(2R)-2-[(Z)-hex-3-enyl]oxirane
SMILESCC/C=C\CC[C@@H]1CO1.CCC1[C@H]2[C@H](O)CC[C@@H]12
InChIInChI=1S/2C8H14O/c1-2-5-6-3-4-7(9)8(5)6;1-2-3-4-5-6-8-7-9-8/h5-9H,2-4H2,1H3;3-4,8H,2,5-7H2,1H3/b;4-3-/t5?,6-,7+,8+;8-/m01/s1
InChIKeyVCDLXAXYCHOQJZ-JLRAIXMZSA-N
MW252.40 g/mol
LogP3.54
Rot. Bonds5

About (1R,2R,5S)-6-ethylbicyclo[3.1.0]hexan-2-ol;(2R)-2-[(Z)-hex-3-enyl]oxirane

(1R,2R,5S)-6-ethylbicyclo[3.1.0]hexan-2-ol;(2R)-2-[(Z)-hex-3-enyl]oxirane (PubChem CID 161257720) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (1R,2R,5S)-6-ethylbicyclo[3.1.0]hexan-2-ol;(2R)-2-[(Z)-hex-3-enyl]oxirane.

Molecular Properties

Compound Name(1R,2R,5S)-6-ethylbicyclo[3.1.0]hexan-2-ol;(2R)-2-[(Z)-hex-3-enyl]oxirane
PubChem CID161257720
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(1R,2R,5S)-6-ethylbicyclo[3.1.0]hexan-2-ol;(2R)-2-[(Z)-hex-3-enyl]oxirane
SMILESCC/C=C\CC[C@@H]1CO1.CCC1[C@H]2[C@H](O)CC[C@@H]12
InChIInChI=1S/2C8H14O/c1-2-5-6-3-4-7(9)8(5)6;1-2-3-4-5-6-8-7-9-8/h5-9H,2-4H2,1H3;3-4,8H,2,5-7H2,1H3/b;4-3-/t5?,6-,7+,8+;8-/m01/s1
InChIKeyVCDLXAXYCHOQJZ-JLRAIXMZSA-N
XLogP3.54
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.54
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'}

Analyze (1R,2R,5S)-6-ethylbicyclo[3.1.0]hexan-2-ol;(2R)-2-[(Z)-hex-3-enyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2R,5S,6R)-6-ethylbicyclo[3.1.0]hexan-2-ol;(2R)-2-[(Z)-hex-3-enyl]oxirane
CID 161257721
2-[(E)-oct-3-enyl]oxirane
CID 58906870
2-[4-[(E)-hex-3-enoxy]butyl]oxirane
CID 22768288
2-hex-3-enylcyclopropan-1-ol
CID 123588538
(2S,3S,5R)-2-butyl-5-hex-3-enyloxolan-3-ol
CID 123456053
2-[(4Z,10Z,13Z,16Z)-nonadeca-4,10,13,16-tetraenyl]-1,3-dioxolane
CID 46243153
methanol;[2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]-1,3-dioxolan-4-yl]methanol
CID 145138269
2,5-bis(hex-3-enyl)-2,3-dihydrofuran
CID 139662910
3-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol
CID 139468442
2-nonadec-10-enyloxirane
CID 54194145
(2S)-2-(5-methylhex-4-enyl)oxirane
CID 102089561
2-methoxy-3,3-dimethyl-6-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxane
CID 46238914

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S)-6-ethylbicyclo[3.1.0]hexan-2-ol;(2R)-2-[(Z)-hex-3-enyl]oxirane?
The IUPAC name of (1R,2R,5S)-6-ethylbicyclo[3.1.0]hexan-2-ol;(2R)-2-[(Z)-hex-3-enyl]oxirane (CID 161257720) is (1R,2R,5S)-6-ethylbicyclo[3.1.0]hexan-2-ol;(2R)-2-[(Z)-hex-3-enyl]oxirane.
What is the SMILES notation for (1R,2R,5S)-6-ethylbicyclo[3.1.0]hexan-2-ol;(2R)-2-[(Z)-hex-3-enyl]oxirane?
The canonical SMILES for (1R,2R,5S)-6-ethylbicyclo[3.1.0]hexan-2-ol;(2R)-2-[(Z)-hex-3-enyl]oxirane is CC/C=C\CC[C@@H]1CO1.CCC1[C@H]2[C@H](O)CC[C@@H]12.
What is the InChIKey of (1R,2R,5S)-6-ethylbicyclo[3.1.0]hexan-2-ol;(2R)-2-[(Z)-hex-3-enyl]oxirane?
The InChIKey is VCDLXAXYCHOQJZ-JLRAIXMZSA-N. The full InChI is InChI=1S/2C8H14O/c1-2-5-6-3-4-7(9)8(5)6;1-2-3-4-5-6-8-7-9-8/h5-9H,2-4H2,1H3;3-4,8H,2,5-7H2,1H3/b;4-3-/t5?,6-,7+,8+;8-/m01/s1.
What are the key properties of (1R,2R,5S)-6-ethylbicyclo[3.1.0]hexan-2-ol;(2R)-2-[(Z)-hex-3-enyl]oxirane?
(1R,2R,5S)-6-ethylbicyclo[3.1.0]hexan-2-ol;(2R)-2-[(Z)-hex-3-enyl]oxirane has a molecular weight of 252.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S)-6-ethylbicyclo[3.1.0]hexan-2-ol;(2R)-2-[(Z)-hex-3-enyl]oxirane is sourced from PubChem (CID 161257720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).