1-nonan-3-yl-2-pentylcyclopropane

C17H34 — CID 20771222

IUPAC1-nonan-3-yl-2-pentylcyclopropane
SMILESCCCCCCC(CC)C1CC1CCCCC
InChIInChI=1S/C17H34/c1-4-7-9-11-12-15(6-3)17-14-16(17)13-10-8-5-2/h15-17H,4-14H2,1-3H3
InChIKeyRCPJDMTWCREWQF-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.20
Rot. Bonds11

About 1-nonan-3-yl-2-pentylcyclopropane

1-nonan-3-yl-2-pentylcyclopropane (PubChem CID 20771222) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 1-nonan-3-yl-2-pentylcyclopropane.

Molecular Properties

Compound Name1-nonan-3-yl-2-pentylcyclopropane
PubChem CID20771222
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name1-nonan-3-yl-2-pentylcyclopropane
SMILESCCCCCCC(CC)C1CC1CCCCC
InChIInChI=1S/C17H34/c1-4-7-9-11-12-15(6-3)17-14-16(17)13-10-8-5-2/h15-17H,4-14H2,1-3H3
InChIKeyRCPJDMTWCREWQF-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.20
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

9-N,9-N,26-N,26-N-tetramethyl-16-[(1S,2R)-2-octylcyclopropyl]-35-[(1S,2S)-2-[[(1R,2R)-2-pentylcyclopropyl]methyl]cyclopropyl]pentatriacontane-9,26-diamine
CID 121245733
(2-octylcyclopropyl)methanediol
CID 165392128
1-butyl-2-pentan-2-ylcyclopropane
CID 90836008
1-ethyl-2-(11-methyltridecan-6-yl)cyclopropane
CID 123705938
methyl 2-[(1R)-1-acetyloxy-16-[(1R,2S)-2-[(19S,20S)-19-hydroxy-20-methyloctatriacontyl]cyclopropyl]octadecyl]hexacosanoate
CID 87200683
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
(1R)-1-[(1R,2R)-2-dodecylcyclopropyl]prop-2-yn-1-ol
CID 138980510
1-ethyl-2-nonan-2-ylcyclopropane
CID 123964320
nonan-3-ylcyclopentane
CID 19893531
N-methyl-1-[(1S,2R)-2-octylcyclopropyl]hexadecan-8-amine
CID 135356098
N,N-dimethyl-21-[(1S,2R)-2-octylcyclopropyl]henicosan-10-amine
CID 56944623

Frequently Asked Questions

What is the IUPAC name of 1-nonan-3-yl-2-pentylcyclopropane?
The IUPAC name of 1-nonan-3-yl-2-pentylcyclopropane (CID 20771222) is 1-nonan-3-yl-2-pentylcyclopropane.
What is the SMILES notation for 1-nonan-3-yl-2-pentylcyclopropane?
The canonical SMILES for 1-nonan-3-yl-2-pentylcyclopropane is CCCCCCC(CC)C1CC1CCCCC.
What is the InChIKey of 1-nonan-3-yl-2-pentylcyclopropane?
The InChIKey is RCPJDMTWCREWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-4-7-9-11-12-15(6-3)17-14-16(17)13-10-8-5-2/h15-17H,4-14H2,1-3H3.
What are the key properties of 1-nonan-3-yl-2-pentylcyclopropane?
1-nonan-3-yl-2-pentylcyclopropane has a molecular weight of 238.46 g/mol, XLogP of 6.20, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonan-3-yl-2-pentylcyclopropane is sourced from PubChem (CID 20771222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).