1-[(E)-2-chloroethenyl]-4-[4-(ethoxymethyl)cyclohexyl]cyclohexane

C17H29ClO — CID 18656587

IUPAC1-[(E)-2-chloroethenyl]-4-[4-(ethoxymethyl)cyclohexyl]cyclohexane
SMILESCCOCC1CCC(C2CCC(/C=C/Cl)CC2)CC1
InChIInChI=1S/C17H29ClO/c1-2-19-13-15-5-9-17(10-6-15)16-7-3-14(4-8-16)11-12-18/h11-12,14-17H,2-10,13H2,1H3/b12-11+
InChIKeyKEETYSNBLMELKT-VAWYXSNFSA-N
MW284.87 g/mol
LogP5.39
Rot. Bonds5

About 1-[(E)-2-chloroethenyl]-4-[4-(ethoxymethyl)cyclohexyl]cyclohexane

1-[(E)-2-chloroethenyl]-4-[4-(ethoxymethyl)cyclohexyl]cyclohexane (PubChem CID 18656587) has the molecular formula C17H29ClO and a molecular weight of 284.87 g/mol. Its IUPAC name is 1-[(E)-2-chloroethenyl]-4-[4-(ethoxymethyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-[(E)-2-chloroethenyl]-4-[4-(ethoxymethyl)cyclohexyl]cyclohexane
PubChem CID18656587
Molecular FormulaC17H29ClO
Molecular Weight284.87 g/mol
Exact Mass284.19
IUPAC Name1-[(E)-2-chloroethenyl]-4-[4-(ethoxymethyl)cyclohexyl]cyclohexane
SMILESCCOCC1CCC(C2CCC(/C=C/Cl)CC2)CC1
InChIInChI=1S/C17H29ClO/c1-2-19-13-15-5-9-17(10-6-15)16-7-3-14(4-8-16)11-12-18/h11-12,14-17H,2-10,13H2,1H3/b12-11+
InChIKeyKEETYSNBLMELKT-VAWYXSNFSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.87
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(ethoxymethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 19850412
1-but-1-enyl-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane
CID 56633881
1-(but-1-enoxymethyl)-4-(4-but-1-enylcyclohexyl)cyclohexane
CID 67898747
ethoxymethylcyclooctane
CID 70370569
1-(but-1-enoxymethyl)-4-(4-pent-1-enylcyclohexyl)cyclohexane
CID 67898621
1-(2-ethoxyethyl)-4-(ethoxymethyl)cyclohexane
CID 134545035
1-[[(Z)-but-2-enoxy]methyl]-4-[4-[(E)-hept-1-enyl]cyclohexyl]cyclohexane
CID 67898774
5-butyl-2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]-1,3-dioxane
CID 54530711
1-(but-1-enoxymethyl)-4-(4-prop-1-enylcyclohexyl)cyclohexane
CID 67898606
1-[2-[4-[4-[(E)-2-chloroethenyl]cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-methoxybenzene
CID 18656504
5-[2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]ethyl]-1,3-difluoro-2-propoxybenzene
CID 54194116
7-(ethoxymethyl)bicyclo[2.2.1]heptane
CID 91410594

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-chloroethenyl]-4-[4-(ethoxymethyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-[(E)-2-chloroethenyl]-4-[4-(ethoxymethyl)cyclohexyl]cyclohexane (CID 18656587) is 1-[(E)-2-chloroethenyl]-4-[4-(ethoxymethyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-[(E)-2-chloroethenyl]-4-[4-(ethoxymethyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-[(E)-2-chloroethenyl]-4-[4-(ethoxymethyl)cyclohexyl]cyclohexane is CCOCC1CCC(C2CCC(/C=C/Cl)CC2)CC1.
What is the InChIKey of 1-[(E)-2-chloroethenyl]-4-[4-(ethoxymethyl)cyclohexyl]cyclohexane?
The InChIKey is KEETYSNBLMELKT-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H29ClO/c1-2-19-13-15-5-9-17(10-6-15)16-7-3-14(4-8-16)11-12-18/h11-12,14-17H,2-10,13H2,1H3/b12-11+.
What are the key properties of 1-[(E)-2-chloroethenyl]-4-[4-(ethoxymethyl)cyclohexyl]cyclohexane?
1-[(E)-2-chloroethenyl]-4-[4-(ethoxymethyl)cyclohexyl]cyclohexane has a molecular weight of 284.87 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-chloroethenyl]-4-[4-(ethoxymethyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 18656587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).