octan-2-ylcyclopropane

C11H22 — CID 18968125

IUPACoctan-2-ylcyclopropane
SMILESCCCCCCC(C)C1CC1
InChIInChI=1S/C11H22/c1-3-4-5-6-7-10(2)11-8-9-11/h10-11H,3-9H2,1-2H3
InChIKeyYFDREAKOTVNOOD-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.00
Rot. Bonds6

About octan-2-ylcyclopropane

octan-2-ylcyclopropane (PubChem CID 18968125) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is octan-2-ylcyclopropane.

Molecular Properties

Compound Nameoctan-2-ylcyclopropane
PubChem CID18968125
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Nameoctan-2-ylcyclopropane
SMILESCCCCCCC(C)C1CC1
InChIInChI=1S/C11H22/c1-3-4-5-6-7-10(2)11-8-9-11/h10-11H,3-9H2,1-2H3
InChIKeyYFDREAKOTVNOOD-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-heptan-2-ylpiperidine
CID 143122379
1-cyclopentyl-3-(4-heptan-2-ylcyclohexyl)cyclohexane
CID 163605877
2-[(4-octan-2-ylcyclohexyl)methyl]guanidine
CID 21470539
1-cyclopropyloctylcyclopropane
CID 141276542
1-bromotetradecylcyclopropane
CID 55193412
1-cyclopropyltetradecan-1-ol
CID 63461268
1-cyclopropylheptan-1-ol
CID 10909821
1-cyclopropyltridecan-1-ol
CID 63410999
1-butyl-2-ethyl-5-pentan-2-ylcycloheptane
CID 123958612
2-cyclopropyltridecan-3-amine
CID 115845964
2-cyclopropyldecan-3-amine
CID 115832316
2-cyclopropylundecan-3-amine
CID 115835648

Frequently Asked Questions

What is the IUPAC name of octan-2-ylcyclopropane?
The IUPAC name of octan-2-ylcyclopropane (CID 18968125) is octan-2-ylcyclopropane.
What is the SMILES notation for octan-2-ylcyclopropane?
The canonical SMILES for octan-2-ylcyclopropane is CCCCCCC(C)C1CC1.
What is the InChIKey of octan-2-ylcyclopropane?
The InChIKey is YFDREAKOTVNOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-3-4-5-6-7-10(2)11-8-9-11/h10-11H,3-9H2,1-2H3.
What are the key properties of octan-2-ylcyclopropane?
octan-2-ylcyclopropane has a molecular weight of 154.30 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octan-2-ylcyclopropane is sourced from PubChem (CID 18968125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).