2,2-dimethylcycloheptane-1-carbaldehyde

C10H18O — CID 138734461

IUPAC2,2-dimethylcycloheptane-1-carbaldehyde
SMILESCC1(C)CCCCCC1C=O
InChIInChI=1S/C10H18O/c1-10(2)7-5-3-4-6-9(10)8-11/h8-9H,3-7H2,1-2H3
InChIKeyPTBOHNVLIIWXCR-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.79
Rot. Bonds1

About 2,2-dimethylcycloheptane-1-carbaldehyde

2,2-dimethylcycloheptane-1-carbaldehyde (PubChem CID 138734461) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2,2-dimethylcycloheptane-1-carbaldehyde.

Molecular Properties

Compound Name2,2-dimethylcycloheptane-1-carbaldehyde
PubChem CID138734461
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2,2-dimethylcycloheptane-1-carbaldehyde
SMILESCC1(C)CCCCCC1C=O
InChIInChI=1S/C10H18O/c1-10(2)7-5-3-4-6-9(10)8-11/h8-9H,3-7H2,1-2H3
InChIKeyPTBOHNVLIIWXCR-UHFFFAOYSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylcycloheptane-1-carbaldehyde?
The IUPAC name of 2,2-dimethylcycloheptane-1-carbaldehyde (CID 138734461) is 2,2-dimethylcycloheptane-1-carbaldehyde.
What is the SMILES notation for 2,2-dimethylcycloheptane-1-carbaldehyde?
The canonical SMILES for 2,2-dimethylcycloheptane-1-carbaldehyde is CC1(C)CCCCCC1C=O.
What is the InChIKey of 2,2-dimethylcycloheptane-1-carbaldehyde?
The InChIKey is PTBOHNVLIIWXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-10(2)7-5-3-4-6-9(10)8-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 2,2-dimethylcycloheptane-1-carbaldehyde?
2,2-dimethylcycloheptane-1-carbaldehyde has a molecular weight of 154.25 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylcycloheptane-1-carbaldehyde is sourced from PubChem (CID 138734461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).