1-heptan-2-yl-2-methylcyclopropane

C11H22 — CID 91084036

IUPAC1-heptan-2-yl-2-methylcyclopropane
SMILESCCCCCC(C)C1CC1C
InChIInChI=1S/C11H22/c1-4-5-6-7-9(2)11-8-10(11)3/h9-11H,4-8H2,1-3H3
InChIKeyBSDYPTOBSQTRFT-UHFFFAOYSA-N
MW154.30 g/mol
LogP3.86
Rot. Bonds5

About 1-heptan-2-yl-2-methylcyclopropane

1-heptan-2-yl-2-methylcyclopropane (PubChem CID 91084036) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 1-heptan-2-yl-2-methylcyclopropane.

Molecular Properties

Compound Name1-heptan-2-yl-2-methylcyclopropane
PubChem CID91084036
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name1-heptan-2-yl-2-methylcyclopropane
SMILESCCCCCC(C)C1CC1C
InChIInChI=1S/C11H22/c1-4-5-6-7-9(2)11-8-10(11)3/h9-11H,4-8H2,1-3H3
InChIKeyBSDYPTOBSQTRFT-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.86
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-2-(2-methyloctan-3-yl)cyclopropane
CID 123773820
1-methyl-2-(3-methylnonan-4-yl)cyclopropane
CID 91046160
1,2-dimethyl-3-pentan-2-ylcyclobutane
CID 123945019
1-ethyl-2-nonan-2-ylcyclopropane
CID 123964320
N-methyl-1-(2-methylcyclopropyl)undecan-1-amine
CID 65419745
1-hexan-2-yl-2,4,5-trimethylcycloheptane
CID 143344432
1-methyl-2-(5-methylhexan-2-yl)cyclopropane
CID 91344454
1-hexan-2-yl-2-propan-2-ylcyclopropane
CID 123497501
octan-2-ylcyclopropane
CID 18968125
1-(2-methylcyclopropyl)octylhydrazine
CID 105234832
1,2-di(pentan-2-yl)cyclopropane
CID 123763474
1-(2-methylcyclopropyl)-N-propylundecan-1-amine
CID 65419339

Frequently Asked Questions

What is the IUPAC name of 1-heptan-2-yl-2-methylcyclopropane?
The IUPAC name of 1-heptan-2-yl-2-methylcyclopropane (CID 91084036) is 1-heptan-2-yl-2-methylcyclopropane.
What is the SMILES notation for 1-heptan-2-yl-2-methylcyclopropane?
The canonical SMILES for 1-heptan-2-yl-2-methylcyclopropane is CCCCCC(C)C1CC1C.
What is the InChIKey of 1-heptan-2-yl-2-methylcyclopropane?
The InChIKey is BSDYPTOBSQTRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-4-5-6-7-9(2)11-8-10(11)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-heptan-2-yl-2-methylcyclopropane?
1-heptan-2-yl-2-methylcyclopropane has a molecular weight of 154.30 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-2-yl-2-methylcyclopropane is sourced from PubChem (CID 91084036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).