butoxycyclopentane;ethane-1,2-diol

C11H24O3 — CID 174670164

IUPACbutoxycyclopentane;ethane-1,2-diol
SMILESCCCCOC1CCCC1.OCCO
InChIInChI=1S/C9H18O.C2H6O2/c1-2-3-8-10-9-6-4-5-7-9;3-1-2-4/h9H,2-8H2,1H3;3-4H,1-2H2
InChIKeyYEOBUNWSPHFUKV-UHFFFAOYSA-N
MW204.31 g/mol
LogP1.72
Rot. Bonds5

About butoxycyclopentane;ethane-1,2-diol

butoxycyclopentane;ethane-1,2-diol (PubChem CID 174670164) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is butoxycyclopentane;ethane-1,2-diol.

Molecular Properties

Compound Namebutoxycyclopentane;ethane-1,2-diol
PubChem CID174670164
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Namebutoxycyclopentane;ethane-1,2-diol
SMILESCCCCOC1CCCC1.OCCO
InChIInChI=1S/C9H18O.C2H6O2/c1-2-3-8-10-9-6-4-5-7-9;3-1-2-4/h9H,2-8H2,1H3;3-4H,1-2H2
InChIKeyYEOBUNWSPHFUKV-UHFFFAOYSA-N
XLogP1.72
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butoxycyclobutane
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cyclohexane;octan-1-ol;octoxycyclohexane
CID 157453756
pentadecoxycyclopentane
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octoxycyclopentane
CID 14691467
10-butoxycyclooctadecan-1-ol
CID 91298202
2-butoxyethoxycyclobutane
CID 150038799
butoxycyclobutane;ethanamine;molecular hydrogen;hydroiodide
CID 171539171
propoxycyclooctane
CID 54078990
heptoxycyclopropane
CID 54099544
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propoxycyclohexane
CID 118647955
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
2-cyclopentyloxyethanol;ethane;methanamine
CID 144529135

Frequently Asked Questions

What is the IUPAC name of butoxycyclopentane;ethane-1,2-diol?
The IUPAC name of butoxycyclopentane;ethane-1,2-diol (CID 174670164) is butoxycyclopentane;ethane-1,2-diol.
What is the SMILES notation for butoxycyclopentane;ethane-1,2-diol?
The canonical SMILES for butoxycyclopentane;ethane-1,2-diol is CCCCOC1CCCC1.OCCO.
What is the InChIKey of butoxycyclopentane;ethane-1,2-diol?
The InChIKey is YEOBUNWSPHFUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O.C2H6O2/c1-2-3-8-10-9-6-4-5-7-9;3-1-2-4/h9H,2-8H2,1H3;3-4H,1-2H2.
What are the key properties of butoxycyclopentane;ethane-1,2-diol?
butoxycyclopentane;ethane-1,2-diol has a molecular weight of 204.31 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butoxycyclopentane;ethane-1,2-diol is sourced from PubChem (CID 174670164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).