1-(methoxymethyl)cycloheptane-1-carbaldehyde

C10H18O2 — CID 131213775

IUPAC1-(methoxymethyl)cycloheptane-1-carbaldehyde
SMILESCOCC1(C=O)CCCCCC1
InChIInChI=1S/C10H18O2/c1-12-9-10(8-11)6-4-2-3-5-7-10/h8H,2-7,9H2,1H3
InChIKeyKVWYFKCNCRDHIC-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.17
Rot. Bonds3

About 1-(methoxymethyl)cycloheptane-1-carbaldehyde

1-(methoxymethyl)cycloheptane-1-carbaldehyde (PubChem CID 131213775) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-(methoxymethyl)cycloheptane-1-carbaldehyde.

Molecular Properties

Compound Name1-(methoxymethyl)cycloheptane-1-carbaldehyde
PubChem CID131213775
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-(methoxymethyl)cycloheptane-1-carbaldehyde
SMILESCOCC1(C=O)CCCCCC1
InChIInChI=1S/C10H18O2/c1-12-9-10(8-11)6-4-2-3-5-7-10/h8H,2-7,9H2,1H3
InChIKeyKVWYFKCNCRDHIC-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)cycloheptane-1-carbaldehyde?
The IUPAC name of 1-(methoxymethyl)cycloheptane-1-carbaldehyde (CID 131213775) is 1-(methoxymethyl)cycloheptane-1-carbaldehyde.
What is the SMILES notation for 1-(methoxymethyl)cycloheptane-1-carbaldehyde?
The canonical SMILES for 1-(methoxymethyl)cycloheptane-1-carbaldehyde is COCC1(C=O)CCCCCC1.
What is the InChIKey of 1-(methoxymethyl)cycloheptane-1-carbaldehyde?
The InChIKey is KVWYFKCNCRDHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-12-9-10(8-11)6-4-2-3-5-7-10/h8H,2-7,9H2,1H3.
What are the key properties of 1-(methoxymethyl)cycloheptane-1-carbaldehyde?
1-(methoxymethyl)cycloheptane-1-carbaldehyde has a molecular weight of 170.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)cycloheptane-1-carbaldehyde is sourced from PubChem (CID 131213775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).