lithium;butoxymethylbenzene;hydride

C11H17LiO — CID 175482454

IUPAClithium;butoxymethylbenzene;hydride
SMILESCCCCOCc1ccccc1.[H-].[Li+]
InChIInChI=1S/C11H16O.Li.H/c1-2-3-9-12-10-11-7-5-4-6-8-11;;/h4-8H,2-3,9-10H2,1H3;;/q;+1;-1
InChIKeyNCVNXAPGEYHLRN-UHFFFAOYSA-N
MW172.20 g/mol
LogP0.12
Rot. Bonds5

About lithium;butoxymethylbenzene;hydride

lithium;butoxymethylbenzene;hydride (PubChem CID 175482454) has the molecular formula C11H17LiO and a molecular weight of 172.20 g/mol. Its IUPAC name is lithium;butoxymethylbenzene;hydride.

Molecular Properties

Compound Namelithium;butoxymethylbenzene;hydride
PubChem CID175482454
Molecular FormulaC11H17LiO
Molecular Weight172.20 g/mol
Exact Mass172.14
IUPAC Namelithium;butoxymethylbenzene;hydride
SMILESCCCCOCc1ccccc1.[H-].[Li+]
InChIInChI=1S/C11H16O.Li.H/c1-2-3-9-12-10-11-7-5-4-6-8-11;;/h4-8H,2-3,9-10H2,1H3;;/q;+1;-1
InChIKeyNCVNXAPGEYHLRN-UHFFFAOYSA-N
XLogP0.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butoxymethylbenzene;ethane
CID 145341806
acetic acid;butoxymethylbenzene
CID 139463153
butoxymethylbenzene;phenylmethanamine
CID 142079106
azane;hexoxymethylbenzene
CID 174805489
2-hexadecoxyethoxymethylbenzene
CID 19965709
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
formaldehyde;octoxymethylbenzene;tungsten
CID 173433681
1-butyl-4-(2-phenylmethoxyethyl)benzene
CID 137452332
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
undec-4-enoxymethylbenzene
CID 158781580

Frequently Asked Questions

What is the IUPAC name of lithium;butoxymethylbenzene;hydride?
The IUPAC name of lithium;butoxymethylbenzene;hydride (CID 175482454) is lithium;butoxymethylbenzene;hydride.
What is the SMILES notation for lithium;butoxymethylbenzene;hydride?
The canonical SMILES for lithium;butoxymethylbenzene;hydride is CCCCOCc1ccccc1.[H-].[Li+].
What is the InChIKey of lithium;butoxymethylbenzene;hydride?
The InChIKey is NCVNXAPGEYHLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.Li.H/c1-2-3-9-12-10-11-7-5-4-6-8-11;;/h4-8H,2-3,9-10H2,1H3;;/q;+1;-1.
What are the key properties of lithium;butoxymethylbenzene;hydride?
lithium;butoxymethylbenzene;hydride has a molecular weight of 172.20 g/mol, XLogP of 0.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;butoxymethylbenzene;hydride is sourced from PubChem (CID 175482454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).