1-methyl-4-propylcycloheptane

C11H22 — CID 90967653

IUPAC1-methyl-4-propylcycloheptane
SMILESCCCC1CCCC(C)CC1
InChIInChI=1S/C11H22/c1-3-5-11-7-4-6-10(2)8-9-11/h10-11H,3-9H2,1-2H3
InChIKeyXNBJLLSBAFQQAO-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.00
Rot. Bonds2

About 1-methyl-4-propylcycloheptane

1-methyl-4-propylcycloheptane (PubChem CID 90967653) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 1-methyl-4-propylcycloheptane.

Molecular Properties

Compound Name1-methyl-4-propylcycloheptane
PubChem CID90967653
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name1-methyl-4-propylcycloheptane
SMILESCCCC1CCCC(C)CC1
InChIInChI=1S/C11H22/c1-3-5-11-7-4-6-10(2)8-9-11/h10-11H,3-9H2,1-2H3
InChIKeyXNBJLLSBAFQQAO-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-5-propylcyclononane
CID 54361658
1-methyl-4-pentylcycloheptane
CID 123318058
ethane;bis(methylcyclopentane);molecular iodine;propane;propylcyclopentane
CID 159951962
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane
CID 123786912
1-butyl-4-methylcyclooctane
CID 123623113
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 70430254
hydrazine;propylcyclobutane;hydrochloride
CID 18995287
propylcyclotetradecane
CID 90991550
4-propylcycloheptan-1-ol
CID 15687798

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propylcycloheptane?
The IUPAC name of 1-methyl-4-propylcycloheptane (CID 90967653) is 1-methyl-4-propylcycloheptane.
What is the SMILES notation for 1-methyl-4-propylcycloheptane?
The canonical SMILES for 1-methyl-4-propylcycloheptane is CCCC1CCCC(C)CC1.
What is the InChIKey of 1-methyl-4-propylcycloheptane?
The InChIKey is XNBJLLSBAFQQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-3-5-11-7-4-6-10(2)8-9-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-methyl-4-propylcycloheptane?
1-methyl-4-propylcycloheptane has a molecular weight of 154.30 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propylcycloheptane is sourced from PubChem (CID 90967653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).