1-methyl-1-pentan-2-ylcyclopropane

C9H18 — CID 57204658

IUPAC1-methyl-1-pentan-2-ylcyclopropane
SMILESCCCC(C)C1(C)CC1
InChIInChI=1S/C9H18/c1-4-5-8(2)9(3)6-7-9/h8H,4-7H2,1-3H3
InChIKeyPYVMHTHGDZWVAQ-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.22
Rot. Bonds3

About 1-methyl-1-pentan-2-ylcyclopropane

1-methyl-1-pentan-2-ylcyclopropane (PubChem CID 57204658) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 1-methyl-1-pentan-2-ylcyclopropane.

Molecular Properties

Compound Name1-methyl-1-pentan-2-ylcyclopropane
PubChem CID57204658
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name1-methyl-1-pentan-2-ylcyclopropane
SMILESCCCC(C)C1(C)CC1
InChIInChI=1S/C9H18/c1-4-5-8(2)9(3)6-7-9/h8H,4-7H2,1-3H3
InChIKeyPYVMHTHGDZWVAQ-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-1-(4-methylheptan-2-yl)cyclopropane
CID 123841891
3-ethyl-1-methyl-1-pentan-2-ylcyclobutane
CID 123384644
1,1,2-trimethyl-2-pentan-2-ylcyclopropane
CID 123201707
1-methyl-1-(4-methylpentadecan-2-yl)cyclopropane
CID 91311320
1-pentan-2-yl-1-propylcyclopropane
CID 123606932
1-(5,5-dimethylhexan-2-yl)-1-methylcyclopropane
CID 123583157
2-methyl-2-pentan-2-yloxirane
CID 139725922
N-[1-(1-methylcyclopropyl)ethyl]hexan-3-amine
CID 62119280
1,2-dimethyl-1-pentan-2-ylcyclopropane
CID 91541433
1-(1-methylcyclopropyl)butylhydrazine
CID 105253275
1-butan-2-yl-1-methylcyclobutane;ethane
CID 167444741
1,2,2,3-tetramethyl-1-pentan-2-ylcyclopentane
CID 123500106

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-pentan-2-ylcyclopropane?
The IUPAC name of 1-methyl-1-pentan-2-ylcyclopropane (CID 57204658) is 1-methyl-1-pentan-2-ylcyclopropane.
What is the SMILES notation for 1-methyl-1-pentan-2-ylcyclopropane?
The canonical SMILES for 1-methyl-1-pentan-2-ylcyclopropane is CCCC(C)C1(C)CC1.
What is the InChIKey of 1-methyl-1-pentan-2-ylcyclopropane?
The InChIKey is PYVMHTHGDZWVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-4-5-8(2)9(3)6-7-9/h8H,4-7H2,1-3H3.
What are the key properties of 1-methyl-1-pentan-2-ylcyclopropane?
1-methyl-1-pentan-2-ylcyclopropane has a molecular weight of 126.24 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-pentan-2-ylcyclopropane is sourced from PubChem (CID 57204658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).