carbanide;4-heptoxybutylbenzene

C18H31O- — CID 158344773

IUPACcarbanide;4-heptoxybutylbenzene
SMILESCCCCCCCOCCCCc1ccccc1.[CH3-]
InChIInChI=1S/C17H28O.CH3/c1-2-3-4-5-10-15-18-16-11-9-14-17-12-7-6-8-13-17;/h6-8,12-13H,2-5,9-11,14-16H2,1H3;1H3/q;-1
InChIKeyGRPBUNODIYTFJM-UHFFFAOYSA-N
MW263.44 g/mol
LogP5.45
Rot. Bonds11

About carbanide;4-heptoxybutylbenzene

carbanide;4-heptoxybutylbenzene (PubChem CID 158344773) has the molecular formula C18H31O- and a molecular weight of 263.44 g/mol. Its IUPAC name is carbanide;4-heptoxybutylbenzene.

Molecular Properties

Compound Namecarbanide;4-heptoxybutylbenzene
PubChem CID158344773
Molecular FormulaC18H31O-
Molecular Weight263.44 g/mol
Exact Mass263.24
IUPAC Namecarbanide;4-heptoxybutylbenzene
SMILESCCCCCCCOCCCCc1ccccc1.[CH3-]
InChIInChI=1S/C17H28O.CH3/c1-2-3-4-5-10-15-18-16-11-9-14-17-12-7-6-8-13-17;/h6-8,12-13H,2-5,9-11,14-16H2,1H3;1H3/q;-1
InChIKeyGRPBUNODIYTFJM-UHFFFAOYSA-N
XLogP5.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.44
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-octadecoxybutylbenzene
CID 70977182
5-pentoxypentylbenzene
CID 19046566
4-heptoxybutylbenzene;methane
CID 158099440
10-butoxydecylbenzene
CID 151496754
3-decoxypropylbenzene
CID 150065328
14-propoxytetradecylbenzene
CID 126562833
6-propoxyhexylbenzene
CID 54255597
4-heptoxybutylbenzene;octane;4-phenylbutan-1-ol
CID 157211945
2-pentoxyethylbenzene
CID 3022447
4-heptoxybutylbenzene;methane;octane;4-phenylbutan-1-ol
CID 157096254
8-(8-phenyloctoxy)octylbenzene
CID 56628536
octaoctacontylbenzene
CID 165359374

Frequently Asked Questions

What is the IUPAC name of carbanide;4-heptoxybutylbenzene?
The IUPAC name of carbanide;4-heptoxybutylbenzene (CID 158344773) is carbanide;4-heptoxybutylbenzene.
What is the SMILES notation for carbanide;4-heptoxybutylbenzene?
The canonical SMILES for carbanide;4-heptoxybutylbenzene is CCCCCCCOCCCCc1ccccc1.[CH3-].
What is the InChIKey of carbanide;4-heptoxybutylbenzene?
The InChIKey is GRPBUNODIYTFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O.CH3/c1-2-3-4-5-10-15-18-16-11-9-14-17-12-7-6-8-13-17;/h6-8,12-13H,2-5,9-11,14-16H2,1H3;1H3/q;-1.
What are the key properties of carbanide;4-heptoxybutylbenzene?
carbanide;4-heptoxybutylbenzene has a molecular weight of 263.44 g/mol, XLogP of 5.45, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;4-heptoxybutylbenzene is sourced from PubChem (CID 158344773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).