1-methyl-1-pentylcyclopropane

C9H18 — CID 524644

IUPAC1-methyl-1-pentylcyclopropane
SMILESCCCCCC1(C)CC1
InChIInChI=1S/C9H18/c1-3-4-5-6-9(2)7-8-9/h3-8H2,1-2H3
InChIKeyFFJCKIUJZMFGII-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.37
Rot. Bonds4

About 1-methyl-1-pentylcyclopropane

1-methyl-1-pentylcyclopropane (PubChem CID 524644) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 1-methyl-1-pentylcyclopropane.

Molecular Properties

Compound Name1-methyl-1-pentylcyclopropane
PubChem CID524644
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name1-methyl-1-pentylcyclopropane
SMILESCCCCCC1(C)CC1
InChIInChI=1S/C9H18/c1-3-4-5-6-9(2)7-8-9/h3-8H2,1-2H3
InChIKeyFFJCKIUJZMFGII-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.37
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

1-methyl-1-undecylcyclohexane
CID 86137257
4-(1-methylcyclopropyl)butan-1-ol
CID 170156502
1-butyl-1,3,3-trimethylcyclobutane
CID 91249753
3-methyl-3-octyloxetane
CID 162658167
1,3-dimethyl-1-pentylcyclobutane;ethane
CID 171802014
4-(4-butylcyclohexyl)-1-methyl-1-pentylcyclohexane
CID 18597195
4-(4-butylcyclohexyl)-1-hexyl-1-methylcyclohexane
CID 18597187
1-methyl-4-pentylbicyclo[2.2.2]octane
CID 13184609
CID 163761151
CID 163761151
1-(6,6-dimethylheptyl)-1-methylcyclopropane
CID 123317672
ethane;2-methylpropane;1-methyl-1-propylcyclopropane
CID 156713855
1-pentylcyclopropan-1-amine
CID 66023547

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-pentylcyclopropane?
The IUPAC name of 1-methyl-1-pentylcyclopropane (CID 524644) is 1-methyl-1-pentylcyclopropane.
What is the SMILES notation for 1-methyl-1-pentylcyclopropane?
The canonical SMILES for 1-methyl-1-pentylcyclopropane is CCCCCC1(C)CC1.
What is the InChIKey of 1-methyl-1-pentylcyclopropane?
The InChIKey is FFJCKIUJZMFGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-3-4-5-6-9(2)7-8-9/h3-8H2,1-2H3.
What are the key properties of 1-methyl-1-pentylcyclopropane?
1-methyl-1-pentylcyclopropane has a molecular weight of 126.24 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-pentylcyclopropane is sourced from PubChem (CID 524644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).