1-(methoxymethyl)cyclohexane-1-carbaldehyde

C9H16O2 — CID 18405699

IUPAC1-(methoxymethyl)cyclohexane-1-carbaldehyde
SMILESCOCC1(C=O)CCCCC1
InChIInChI=1S/C9H16O2/c1-11-8-9(7-10)5-3-2-4-6-9/h7H,2-6,8H2,1H3
InChIKeyLENYLESHOWGJLW-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.78
Rot. Bonds3

About 1-(methoxymethyl)cyclohexane-1-carbaldehyde

1-(methoxymethyl)cyclohexane-1-carbaldehyde (PubChem CID 18405699) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-(methoxymethyl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-(methoxymethyl)cyclohexane-1-carbaldehyde
PubChem CID18405699
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-(methoxymethyl)cyclohexane-1-carbaldehyde
SMILESCOCC1(C=O)CCCCC1
InChIInChI=1S/C9H16O2/c1-11-8-9(7-10)5-3-2-4-6-9/h7H,2-6,8H2,1H3
InChIKeyLENYLESHOWGJLW-UHFFFAOYSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl 1-formylcyclohexane-1-carboxylate
CID 10866761
2-Methyl-2-(oxan-2-yl)propanal
CID 84716620
1-(Methoxymethyl)cycloheptane-1-carbaldehyde
CID 131213775
Dimethyl 1,4-diformylcyclohexane-1,4-dicarboxylate
CID 15656318
1-(Hydroxymethyl)-cyclohexanecarboxaldehyde
CID 13106397
1-[1-(Methoxymethyl)cyclohexyl]propan-1-one
CID 66919838
3-Methoxy-5,5-dimethylheptanal
CID 87291525
3-Methoxy-4,4-dimethylheptanal
CID 87292104
2-(Cyclopentylmethyl)-3-methoxy-2-methylpropanal
CID 90835224
2-(1-Methoxycyclohexyl)-2-methylpropanal
CID 174714485
1-Methoxycyclohexane-1-acetaldehyde
CID 12148234
2-(Methoxymethyl)-2,6,6-trimethylcyclohexan-1-one
CID 12590021

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)cyclohexane-1-carbaldehyde?
The IUPAC name of 1-(methoxymethyl)cyclohexane-1-carbaldehyde (CID 18405699) is 1-(methoxymethyl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-(methoxymethyl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-(methoxymethyl)cyclohexane-1-carbaldehyde is COCC1(C=O)CCCCC1.
What is the InChIKey of 1-(methoxymethyl)cyclohexane-1-carbaldehyde?
The InChIKey is LENYLESHOWGJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-11-8-9(7-10)5-3-2-4-6-9/h7H,2-6,8H2,1H3.
What are the key properties of 1-(methoxymethyl)cyclohexane-1-carbaldehyde?
1-(methoxymethyl)cyclohexane-1-carbaldehyde has a molecular weight of 156.22 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 18405699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).