7-methylnonylcyclopropane

C13H26 — CID 123906260

IUPAC7-methylnonylcyclopropane
SMILESCCC(C)CCCCCCC1CC1
InChIInChI=1S/C13H26/c1-3-12(2)8-6-4-5-7-9-13-10-11-13/h12-13H,3-11H2,1-2H3
InChIKeyJAYKHTQGHVWQSY-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.78
Rot. Bonds8

About 7-methylnonylcyclopropane

7-methylnonylcyclopropane (PubChem CID 123906260) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 7-methylnonylcyclopropane.

Molecular Properties

Compound Name7-methylnonylcyclopropane
PubChem CID123906260
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name7-methylnonylcyclopropane
SMILESCCC(C)CCCCCCC1CC1
InChIInChI=1S/C13H26/c1-3-12(2)8-6-4-5-7-9-13-10-11-13/h12-13H,3-11H2,1-2H3
InChIKeyJAYKHTQGHVWQSY-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Methyldecane
CID 23415
2-Methyloctane
CID 18591
2-Methylundecane
CID 23459
Farnesane
CID 19773
4-Methyldecane
CID 17835
3-Methyldecane
CID 92239
2-Methylnonane
CID 13379
3,6-Dimethyloctane
CID 85927
2,6-Dimethyloctane
CID 16319
2,4-Dimethylheptane
CID 16656
4-Methyloctane
CID 16665
3-Methylnonane
CID 22202

Frequently Asked Questions

What is the IUPAC name of 7-methylnonylcyclopropane?
The IUPAC name of 7-methylnonylcyclopropane (CID 123906260) is 7-methylnonylcyclopropane.
What is the SMILES notation for 7-methylnonylcyclopropane?
The canonical SMILES for 7-methylnonylcyclopropane is CCC(C)CCCCCCC1CC1.
What is the InChIKey of 7-methylnonylcyclopropane?
The InChIKey is JAYKHTQGHVWQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-3-12(2)8-6-4-5-7-9-13-10-11-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 7-methylnonylcyclopropane?
7-methylnonylcyclopropane has a molecular weight of 182.35 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylnonylcyclopropane is sourced from PubChem (CID 123906260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).