1-methoxy-3,3-dimethylcyclohexane-1-carbaldehyde

C10H18O2 — CID 130680455

IUPAC1-methoxy-3,3-dimethylcyclohexane-1-carbaldehyde
SMILESCOC1(C=O)CCCC(C)(C)C1
InChIInChI=1S/C10H18O2/c1-9(2)5-4-6-10(7-9,8-11)12-3/h8H,4-7H2,1-3H3
InChIKeyDMSAWSKPFZVNDU-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.17
Rot. Bonds2

About 1-methoxy-3,3-dimethylcyclohexane-1-carbaldehyde

1-methoxy-3,3-dimethylcyclohexane-1-carbaldehyde (PubChem CID 130680455) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-methoxy-3,3-dimethylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-methoxy-3,3-dimethylcyclohexane-1-carbaldehyde
PubChem CID130680455
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-methoxy-3,3-dimethylcyclohexane-1-carbaldehyde
SMILESCOC1(C=O)CCCC(C)(C)C1
InChIInChI=1S/C10H18O2/c1-9(2)5-4-6-10(7-9,8-11)12-3/h8H,4-7H2,1-3H3
InChIKeyDMSAWSKPFZVNDU-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-methoxy-3,3-dimethylcyclohexane-1-carbaldehyde?
The IUPAC name of 1-methoxy-3,3-dimethylcyclohexane-1-carbaldehyde (CID 130680455) is 1-methoxy-3,3-dimethylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-methoxy-3,3-dimethylcyclohexane-1-carbaldehyde?
The canonical SMILES for 1-methoxy-3,3-dimethylcyclohexane-1-carbaldehyde is COC1(C=O)CCCC(C)(C)C1.
What is the InChIKey of 1-methoxy-3,3-dimethylcyclohexane-1-carbaldehyde?
The InChIKey is DMSAWSKPFZVNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)5-4-6-10(7-9,8-11)12-3/h8H,4-7H2,1-3H3.
What are the key properties of 1-methoxy-3,3-dimethylcyclohexane-1-carbaldehyde?
1-methoxy-3,3-dimethylcyclohexane-1-carbaldehyde has a molecular weight of 170.25 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3,3-dimethylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 130680455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).