[(1R)-1-prop-2-enoxybut-3-enyl]cyclohexane

C13H22O — CID 100966370

IUPAC[(1R)-1-prop-2-enoxybut-3-enyl]cyclohexane
SMILESC=CCO[C@H](CC=C)C1CCCCC1
InChIInChI=1S/C13H22O/c1-3-8-13(14-11-4-2)12-9-6-5-7-10-12/h3-4,12-13H,1-2,5-11H2/t13-/m1/s1
InChIKeyBXFROFYBOCZPSO-CYBMUJFWSA-N
MW194.32 g/mol
LogP3.71
Rot. Bonds6

About [(1R)-1-prop-2-enoxybut-3-enyl]cyclohexane

[(1R)-1-prop-2-enoxybut-3-enyl]cyclohexane (PubChem CID 100966370) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is [(1R)-1-prop-2-enoxybut-3-enyl]cyclohexane.

Molecular Properties

Compound Name[(1R)-1-prop-2-enoxybut-3-enyl]cyclohexane
PubChem CID100966370
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name[(1R)-1-prop-2-enoxybut-3-enyl]cyclohexane
SMILESC=CCO[C@H](CC=C)C1CCCCC1
InChIInChI=1S/C13H22O/c1-3-8-13(14-11-4-2)12-9-6-5-7-10-12/h3-4,12-13H,1-2,5-11H2/t13-/m1/s1
InChIKeyBXFROFYBOCZPSO-CYBMUJFWSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexylbut-3-enyl acetate
CID 11481011
1-cyclohexylbut-3-enoxy-dimethyl-prop-2-enylsilane
CID 11791697
cyclopentyl(prop-2-enoxy)methanol
CID 163201000
1-cyclooctylbut-3-en-1-amine
CID 80604015
[(3S)-hex-5-en-1-yn-3-yl]cyclohexane
CID 102433430
(3-cyclohexyl-3-prop-2-enoxyprop-1-ynyl)-trimethylsilane
CID 11207460
1-(2,2-diethoxyethoxy)but-3-enylcyclopropane
CID 86721304
(1R,2R)-1-cyclohexyl-2-methylhex-5-ene-1,3-diol
CID 139248849
2-cyclohexylpent-4-en-1-ol
CID 77257118
1-bromopent-4-en-2-ylcyclopentane
CID 131225659
1-cyclohexylpent-4-en-2-ol
CID 13166988
2-cyclohexyl-N-methylpent-4-en-1-amine
CID 77230357

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-prop-2-enoxybut-3-enyl]cyclohexane?
The IUPAC name of [(1R)-1-prop-2-enoxybut-3-enyl]cyclohexane (CID 100966370) is [(1R)-1-prop-2-enoxybut-3-enyl]cyclohexane.
What is the SMILES notation for [(1R)-1-prop-2-enoxybut-3-enyl]cyclohexane?
The canonical SMILES for [(1R)-1-prop-2-enoxybut-3-enyl]cyclohexane is C=CCO[C@H](CC=C)C1CCCCC1.
What is the InChIKey of [(1R)-1-prop-2-enoxybut-3-enyl]cyclohexane?
The InChIKey is BXFROFYBOCZPSO-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H22O/c1-3-8-13(14-11-4-2)12-9-6-5-7-10-12/h3-4,12-13H,1-2,5-11H2/t13-/m1/s1.
What are the key properties of [(1R)-1-prop-2-enoxybut-3-enyl]cyclohexane?
[(1R)-1-prop-2-enoxybut-3-enyl]cyclohexane has a molecular weight of 194.32 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-prop-2-enoxybut-3-enyl]cyclohexane is sourced from PubChem (CID 100966370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).