4-(1,2-dimethylcyclopropyl)heptanal

C12H22O — CID 123435086

IUPAC4-(1,2-dimethylcyclopropyl)heptanal
SMILESCCCC(CCC=O)C1(C)CC1C
InChIInChI=1S/C12H22O/c1-4-6-11(7-5-8-13)12(3)9-10(12)2/h8,10-11H,4-7,9H2,1-3H3
InChIKeyRRAXGQQGRGUILR-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.43
Rot. Bonds6

About 4-(1,2-dimethylcyclopropyl)heptanal

4-(1,2-dimethylcyclopropyl)heptanal (PubChem CID 123435086) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-(1,2-dimethylcyclopropyl)heptanal.

Molecular Properties

Compound Name4-(1,2-dimethylcyclopropyl)heptanal
PubChem CID123435086
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name4-(1,2-dimethylcyclopropyl)heptanal
SMILESCCCC(CCC=O)C1(C)CC1C
InChIInChI=1S/C12H22O/c1-4-6-11(7-5-8-13)12(3)9-10(12)2/h8,10-11H,4-7,9H2,1-3H3
InChIKeyRRAXGQQGRGUILR-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.43
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-dimethyl-1-pentan-2-ylcyclopropane
CID 91541433
2-propylpentanedial
CID 86120951
4-sulfanylhexanal
CID 174812634
(5R)-5-(4-methylcyclohexyl)octanal
CID 118900354
triethyl(3-oxopropyl)phosphanium
CID 89178953
1-hexan-3-yl-1-methylcyclobutane
CID 91314067
4-butyloctanal;titanium
CID 175088006
1-(2,3-dimethylhex-1-enyl)-1,2-dimethylcyclopropane
CID 91265902
3-(1-methylcyclopropyl)propanal
CID 22421116
butyl-(1-hydroxy-4-oxobutyl)tin
CID 87179717
butanal;propane
CID 142417026
alumane;butanal
CID 175259224

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dimethylcyclopropyl)heptanal?
The IUPAC name of 4-(1,2-dimethylcyclopropyl)heptanal (CID 123435086) is 4-(1,2-dimethylcyclopropyl)heptanal.
What is the SMILES notation for 4-(1,2-dimethylcyclopropyl)heptanal?
The canonical SMILES for 4-(1,2-dimethylcyclopropyl)heptanal is CCCC(CCC=O)C1(C)CC1C.
What is the InChIKey of 4-(1,2-dimethylcyclopropyl)heptanal?
The InChIKey is RRAXGQQGRGUILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-4-6-11(7-5-8-13)12(3)9-10(12)2/h8,10-11H,4-7,9H2,1-3H3.
What are the key properties of 4-(1,2-dimethylcyclopropyl)heptanal?
4-(1,2-dimethylcyclopropyl)heptanal has a molecular weight of 182.31 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dimethylcyclopropyl)heptanal is sourced from PubChem (CID 123435086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).