methoxyethane;4-methylidenecyclohexane-1-carbaldehyde

C11H20O2 — CID 143372914

IUPACmethoxyethane;4-methylidenecyclohexane-1-carbaldehyde
SMILESC=C1CCC(C=O)CC1.CCOC
InChIInChI=1S/C8H12O.C3H8O/c1-7-2-4-8(6-9)5-3-7;1-3-4-2/h6,8H,1-5H2;3H2,1-2H3
InChIKeyUFMMENPRCXPCLZ-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.58
Rot. Bonds2

About methoxyethane;4-methylidenecyclohexane-1-carbaldehyde

methoxyethane;4-methylidenecyclohexane-1-carbaldehyde (PubChem CID 143372914) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is methoxyethane;4-methylidenecyclohexane-1-carbaldehyde.

Molecular Properties

Compound Namemethoxyethane;4-methylidenecyclohexane-1-carbaldehyde
PubChem CID143372914
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Namemethoxyethane;4-methylidenecyclohexane-1-carbaldehyde
SMILESC=C1CCC(C=O)CC1.CCOC
InChIInChI=1S/C8H12O.C3H8O/c1-7-2-4-8(6-9)5-3-7;1-3-4-2/h6,8H,1-5H2;3H2,1-2H3
InChIKeyUFMMENPRCXPCLZ-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-Dihydroperillaldehyde
CID 527108
alpha-Citronellal
CID 101628
alpha-Methyl-4-methylenecyclohexaneacetaldehyde
CID 20242350
4-Methylidenecyclohexane-1-carbaldehyde
CID 15818136
alpha-Citronellal, (S)-
CID 72941617
4,8-Dimethylnon-8-enal
CID 129749352
Limononaldehyde
CID 3014538
2-Cyclohexene-1-acetaldehyde, 2-methyl-5-(1-methylethenyl)-
CID 175347
3-(2-Methylidenecyclohexyl)propanal
CID 130024882
6-Methyl-8-oxo-3-prop-1-en-2-ylnonanal
CID 162415960
(s)-6-Oxo-3-(prop-1-en-2-yl)heptanal
CID 10986660
1-Methyl-4-prop-1-en-2-ylcyclohexane-1-carbaldehyde
CID 91227965

Frequently Asked Questions

What is the IUPAC name of methoxyethane;4-methylidenecyclohexane-1-carbaldehyde?
The IUPAC name of methoxyethane;4-methylidenecyclohexane-1-carbaldehyde (CID 143372914) is methoxyethane;4-methylidenecyclohexane-1-carbaldehyde.
What is the SMILES notation for methoxyethane;4-methylidenecyclohexane-1-carbaldehyde?
The canonical SMILES for methoxyethane;4-methylidenecyclohexane-1-carbaldehyde is C=C1CCC(C=O)CC1.CCOC.
What is the InChIKey of methoxyethane;4-methylidenecyclohexane-1-carbaldehyde?
The InChIKey is UFMMENPRCXPCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O.C3H8O/c1-7-2-4-8(6-9)5-3-7;1-3-4-2/h6,8H,1-5H2;3H2,1-2H3.
What are the key properties of methoxyethane;4-methylidenecyclohexane-1-carbaldehyde?
methoxyethane;4-methylidenecyclohexane-1-carbaldehyde has a molecular weight of 184.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethane;4-methylidenecyclohexane-1-carbaldehyde is sourced from PubChem (CID 143372914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).