1-propyl-1-undecan-4-ylcyclopropane

C17H34 — CID 123635961

IUPAC1-propyl-1-undecan-4-ylcyclopropane
SMILESCCCCCCCC(CCC)C1(CCC)CC1
InChIInChI=1S/C17H34/c1-4-7-8-9-10-12-16(11-5-2)17(13-6-3)14-15-17/h16H,4-15H2,1-3H3
InChIKeyKYMMYQHFAQFDHV-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.34
Rot. Bonds11

About 1-propyl-1-undecan-4-ylcyclopropane

1-propyl-1-undecan-4-ylcyclopropane (PubChem CID 123635961) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 1-propyl-1-undecan-4-ylcyclopropane.

Molecular Properties

Compound Name1-propyl-1-undecan-4-ylcyclopropane
PubChem CID123635961
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name1-propyl-1-undecan-4-ylcyclopropane
SMILESCCCCCCCC(CCC)C1(CCC)CC1
InChIInChI=1S/C17H34/c1-4-7-8-9-10-12-16(11-5-2)17(13-6-3)14-15-17/h16H,4-15H2,1-3H3
InChIKeyKYMMYQHFAQFDHV-UHFFFAOYSA-N
XLogP6.34
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 ≤ 56.34
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-fluoro-1-tridecan-7-ylcyclopropane
CID 166909340
1-pentan-2-yl-1-propylcyclopropane
CID 123606932
2-octadecan-4-yloxetan-2-amine;hydrochloride
CID 173398380
1-nonan-4-yl-1-(trifluoromethyl)cyclopentane
CID 155467501
2-chloro-2,3-dimethyl-3-tridecan-4-yloxirane
CID 141375232
1-(1-hexylcyclopropyl)ethanol
CID 106798180
pentadecan-4-ylalumane
CID 173444566
hexadecane-4,5-diamine
CID 57310882
dodecan-4-ylalumane
CID 175037294
(2R)-N,N-dimethyl-2-(1-octylcyclopropyl)heptadecan-8-amine
CID 175488077
8-hexyl-7-propyltriacontane
CID 21490607
hexatriacontane-18,19-diamine
CID 57054547

Frequently Asked Questions

What is the IUPAC name of 1-propyl-1-undecan-4-ylcyclopropane?
The IUPAC name of 1-propyl-1-undecan-4-ylcyclopropane (CID 123635961) is 1-propyl-1-undecan-4-ylcyclopropane.
What is the SMILES notation for 1-propyl-1-undecan-4-ylcyclopropane?
The canonical SMILES for 1-propyl-1-undecan-4-ylcyclopropane is CCCCCCCC(CCC)C1(CCC)CC1.
What is the InChIKey of 1-propyl-1-undecan-4-ylcyclopropane?
The InChIKey is KYMMYQHFAQFDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-4-7-8-9-10-12-16(11-5-2)17(13-6-3)14-15-17/h16H,4-15H2,1-3H3.
What are the key properties of 1-propyl-1-undecan-4-ylcyclopropane?
1-propyl-1-undecan-4-ylcyclopropane has a molecular weight of 238.46 g/mol, XLogP of 6.34, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-1-undecan-4-ylcyclopropane is sourced from PubChem (CID 123635961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).