trans-(1R,2S)-1-ethenyl-2-[(Z)-1-prop-2-enoxybut-2-en-2-yl]cyclohexan-1-ol

C15H24O2 — CID 102289923

IUPACtrans-(1R,2S)-1-ethenyl-2-[(Z)-1-prop-2-enoxybut-2-en-2-yl]cyclohexan-1-ol
SMILESC=CCOC/C(=C\C)[C@@H]1CCCC[C@@]1(O)C=C
InChIInChI=1S/C15H24O2/c1-4-11-17-12-13(5-2)14-9-7-8-10-15(14,16)6-3/h4-6,14,16H,1,3,7-12H2,2H3/b13-5+/t14-,15-/m0/s1
InChIKeyUTOFHBZMGZPMOS-PJORVAEVSA-N
MW236.35 g/mol
LogP3.24
Rot. Bonds6

About trans-(1R,2S)-1-ethenyl-2-[(Z)-1-prop-2-enoxybut-2-en-2-yl]cyclohexan-1-ol

trans-(1R,2S)-1-ethenyl-2-[(Z)-1-prop-2-enoxybut-2-en-2-yl]cyclohexan-1-ol (PubChem CID 102289923) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is trans-(1R,2S)-1-ethenyl-2-[(Z)-1-prop-2-enoxybut-2-en-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-1-ethenyl-2-[(Z)-1-prop-2-enoxybut-2-en-2-yl]cyclohexan-1-ol
PubChem CID102289923
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Nametrans-(1R,2S)-1-ethenyl-2-[(Z)-1-prop-2-enoxybut-2-en-2-yl]cyclohexan-1-ol
SMILESC=CCOC/C(=C\C)[C@@H]1CCCC[C@@]1(O)C=C
InChIInChI=1S/C15H24O2/c1-4-11-17-12-13(5-2)14-9-7-8-10-15(14,16)6-3/h4-6,14,16H,1,3,7-12H2,2H3/b13-5+/t14-,15-/m0/s1
InChIKeyUTOFHBZMGZPMOS-PJORVAEVSA-N
XLogP3.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trans-(1R,2S)-1-ethenyl-2-[(Z)-1-prop-2-enoxybut-2-en-2-yl]cyclohexan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-ethenyl-2-[(Z)-1-prop-2-enoxybut-2-en-2-yl]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2S)-1-ethenyl-2-[(Z)-1-prop-2-enoxybut-2-en-2-yl]cyclohexan-1-ol (CID 102289923) is trans-(1R,2S)-1-ethenyl-2-[(Z)-1-prop-2-enoxybut-2-en-2-yl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2S)-1-ethenyl-2-[(Z)-1-prop-2-enoxybut-2-en-2-yl]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2S)-1-ethenyl-2-[(Z)-1-prop-2-enoxybut-2-en-2-yl]cyclohexan-1-ol is C=CCOC/C(=C\C)[C@@H]1CCCC[C@@]1(O)C=C.
What is the InChIKey of trans-(1R,2S)-1-ethenyl-2-[(Z)-1-prop-2-enoxybut-2-en-2-yl]cyclohexan-1-ol?
The InChIKey is UTOFHBZMGZPMOS-PJORVAEVSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-11-17-12-13(5-2)14-9-7-8-10-15(14,16)6-3/h4-6,14,16H,1,3,7-12H2,2H3/b13-5+/t14-,15-/m0/s1.
What are the key properties of trans-(1R,2S)-1-ethenyl-2-[(Z)-1-prop-2-enoxybut-2-en-2-yl]cyclohexan-1-ol?
trans-(1R,2S)-1-ethenyl-2-[(Z)-1-prop-2-enoxybut-2-en-2-yl]cyclohexan-1-ol has a molecular weight of 236.35 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-ethenyl-2-[(Z)-1-prop-2-enoxybut-2-en-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 102289923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).