1-(3,3-dimethylbutyl)cyclopropane-1-carbaldehyde

C10H18O — CID 131231052

IUPAC1-(3,3-dimethylbutyl)cyclopropane-1-carbaldehyde
SMILESCC(C)(C)CCC1(C=O)CC1
InChIInChI=1S/C10H18O/c1-9(2,3)4-5-10(8-11)6-7-10/h8H,4-7H2,1-3H3
InChIKeyHLHGAOXRDQKHBJ-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.79
Rot. Bonds3

About 1-(3,3-dimethylbutyl)cyclopropane-1-carbaldehyde

1-(3,3-dimethylbutyl)cyclopropane-1-carbaldehyde (PubChem CID 131231052) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)cyclopropane-1-carbaldehyde
PubChem CID131231052
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-(3,3-dimethylbutyl)cyclopropane-1-carbaldehyde
SMILESCC(C)(C)CCC1(C=O)CC1
InChIInChI=1S/C10H18O/c1-9(2,3)4-5-10(8-11)6-7-10/h8H,4-7H2,1-3H3
InChIKeyHLHGAOXRDQKHBJ-UHFFFAOYSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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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Related Compounds

1-(2,2-dimethyl-3-oxopropyl)cyclopropane-1-carbaldehyde
CID 87257519
1-(2-hydroxyethyl)cyclopropane-1-carbaldehyde
CID 130698977
1-[2-(methylamino)ethyl]cyclopropane-1-carbaldehyde
CID 144732872
1-(chloromethyl)-1-(3,3-dimethylbutyl)cyclobutane
CID 66035776
[1-(3,3-dimethylbutyl)cyclobutyl]methanol
CID 66023658
1-(3,3-dimethylbutyl)cyclopropane-1-sulfonyl chloride
CID 165490509
1-(3,3-dimethylbutyl)-N-methylcyclopropan-1-amine
CID 83682072
1-(3,3-dimethylbutyl)cycloheptan-1-amine
CID 62622521
1-pent-4-enylcyclopropane-1-carbaldehyde
CID 126997266
1-(3,3-dimethylbutyl)cycloheptan-1-ol
CID 65147849
1-(3,3-dimethylbutyl)cyclopropane-1-carbonitrile
CID 118667710
1-(2,2-dimethoxyethyl)cyclopropane-1-carbaldehyde
CID 177117895

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)cyclopropane-1-carbaldehyde?
The IUPAC name of 1-(3,3-dimethylbutyl)cyclopropane-1-carbaldehyde (CID 131231052) is 1-(3,3-dimethylbutyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-(3,3-dimethylbutyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-(3,3-dimethylbutyl)cyclopropane-1-carbaldehyde is CC(C)(C)CCC1(C=O)CC1.
What is the InChIKey of 1-(3,3-dimethylbutyl)cyclopropane-1-carbaldehyde?
The InChIKey is HLHGAOXRDQKHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-9(2,3)4-5-10(8-11)6-7-10/h8H,4-7H2,1-3H3.
What are the key properties of 1-(3,3-dimethylbutyl)cyclopropane-1-carbaldehyde?
1-(3,3-dimethylbutyl)cyclopropane-1-carbaldehyde has a molecular weight of 154.25 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 131231052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).