1-methyl-1-octylcyclopropane

C12H24 — CID 101080713

IUPAC1-methyl-1-octylcyclopropane
SMILESCCCCCCCCC1(C)CC1
InChIInChI=1S/C12H24/c1-3-4-5-6-7-8-9-12(2)10-11-12/h3-11H2,1-2H3
InChIKeyDCIKESFSKAETNN-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.54
Rot. Bonds7

About 1-methyl-1-octylcyclopropane

1-methyl-1-octylcyclopropane (PubChem CID 101080713) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1-methyl-1-octylcyclopropane.

Molecular Properties

Compound Name1-methyl-1-octylcyclopropane
PubChem CID101080713
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1-methyl-1-octylcyclopropane
SMILESCCCCCCCCC1(C)CC1
InChIInChI=1S/C12H24/c1-3-4-5-6-7-8-9-12(2)10-11-12/h3-11H2,1-2H3
InChIKeyDCIKESFSKAETNN-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.54
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

Decane, 2,2-dimethyl--
CID 28459
1-Butyl-1-methyl-2-propylcyclopropane
CID 39066
2,2,8-Trimethyldecane
CID 522038
Octane, 2,2-dimethyl-
CID 85150
Octane, 4,4-dimethyl-
CID 85151
3,3-Dimethyloctane
CID 138117
2,2,4-Trimethyldecane
CID 545792
5-Ethyl-5-methyldecane
CID 28473
Octane, 2,2,7,7-tetramethyl-
CID 66116
1-Methyl-2-pentylcyclopropane
CID 524612
2,2,6-Trimethyldecane
CID 545798
Octane, trimethyl-
CID 176691

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-octylcyclopropane?
The IUPAC name of 1-methyl-1-octylcyclopropane (CID 101080713) is 1-methyl-1-octylcyclopropane.
What is the SMILES notation for 1-methyl-1-octylcyclopropane?
The canonical SMILES for 1-methyl-1-octylcyclopropane is CCCCCCCCC1(C)CC1.
What is the InChIKey of 1-methyl-1-octylcyclopropane?
The InChIKey is DCIKESFSKAETNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-3-4-5-6-7-8-9-12(2)10-11-12/h3-11H2,1-2H3.
What are the key properties of 1-methyl-1-octylcyclopropane?
1-methyl-1-octylcyclopropane has a molecular weight of 168.32 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-octylcyclopropane is sourced from PubChem (CID 101080713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).