1-(4-ethoxy-3-methylidenecyclohexyl)ethanone

C11H18O2 — CID 91381988

IUPAC1-(4-ethoxy-3-methylidenecyclohexyl)ethanone
SMILESC=C1CC(C(C)=O)CCC1OCC
InChIInChI=1S/C11H18O2/c1-4-13-11-6-5-10(9(3)12)7-8(11)2/h10-11H,2,4-7H2,1,3H3
InChIKeyBINLIMVMYWCDEL-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.34
Rot. Bonds3

About 1-(4-ethoxy-3-methylidenecyclohexyl)ethanone

1-(4-ethoxy-3-methylidenecyclohexyl)ethanone (PubChem CID 91381988) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methylidenecyclohexyl)ethanone.

Molecular Properties

Compound Name1-(4-ethoxy-3-methylidenecyclohexyl)ethanone
PubChem CID91381988
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-(4-ethoxy-3-methylidenecyclohexyl)ethanone
SMILESC=C1CC(C(C)=O)CCC1OCC
InChIInChI=1S/C11H18O2/c1-4-13-11-6-5-10(9(3)12)7-8(11)2/h10-11H,2,4-7H2,1,3H3
InChIKeyBINLIMVMYWCDEL-UHFFFAOYSA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Methoxy-cyclohexyl)-hex-5-en-1-one
CID 129864092
2-Methyl-5-prop-2-enoxy-1-(4-prop-2-enoxycyclohexyl)pentan-1-one
CID 59431514
6-Methoxy-3,7-dimethyloct-7-en-2-one
CID 85965228
3-Ethoxy-5-ethyl-4-methylidenecyclohexan-1-one
CID 91066933
7-Methoxy-5-methyl-6-methylideneoctan-2-one
CID 123449791
1-(4-Prop-2-enoxycyclohexyl)ethanone
CID 140481122
7-Ethoxy-4-ethyl-2-methylnon-8-en-3-one
CID 170077623
Methyl 2-(4-ethoxycyclohexyl)prop-2-enoate
CID 174859103
4-(1-Methoxy-2-propenyl)cyclohexanone
CID 14043914
5-(Oxan-2-yl)hex-5-en-2-one
CID 86206009
5-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-2-yl]hex-5-en-2-one
CID 100997719
5-[(2S,4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl]hex-5-en-2-one
CID 100997721

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methylidenecyclohexyl)ethanone?
The IUPAC name of 1-(4-ethoxy-3-methylidenecyclohexyl)ethanone (CID 91381988) is 1-(4-ethoxy-3-methylidenecyclohexyl)ethanone.
What is the SMILES notation for 1-(4-ethoxy-3-methylidenecyclohexyl)ethanone?
The canonical SMILES for 1-(4-ethoxy-3-methylidenecyclohexyl)ethanone is C=C1CC(C(C)=O)CCC1OCC.
What is the InChIKey of 1-(4-ethoxy-3-methylidenecyclohexyl)ethanone?
The InChIKey is BINLIMVMYWCDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-13-11-6-5-10(9(3)12)7-8(11)2/h10-11H,2,4-7H2,1,3H3.
What are the key properties of 1-(4-ethoxy-3-methylidenecyclohexyl)ethanone?
1-(4-ethoxy-3-methylidenecyclohexyl)ethanone has a molecular weight of 182.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methylidenecyclohexyl)ethanone is sourced from PubChem (CID 91381988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).