2-(9-bicyclo[6.1.0]non-4-ynylmethoxy)ethanol

C12H18O2 — CID 154803538

IUPAC2-(9-bicyclo[6.1.0]non-4-ynylmethoxy)ethanol
SMILESOCCOCC1C2CCC#CCCC21
InChIInChI=1S/C12H18O2/c13-7-8-14-9-12-10-5-3-1-2-4-6-11(10)12/h10-13H,3-9H2
InChIKeyZPJBVTBOCACHBK-UHFFFAOYSA-N
MW194.27 g/mol
LogP1.43
Rot. Bonds4

About 2-(9-bicyclo[6.1.0]non-4-ynylmethoxy)ethanol

2-(9-bicyclo[6.1.0]non-4-ynylmethoxy)ethanol (PubChem CID 154803538) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-(9-bicyclo[6.1.0]non-4-ynylmethoxy)ethanol.

Molecular Properties

Compound Name2-(9-bicyclo[6.1.0]non-4-ynylmethoxy)ethanol
PubChem CID154803538
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-(9-bicyclo[6.1.0]non-4-ynylmethoxy)ethanol
SMILESOCCOCC1C2CCC#CCCC21
InChIInChI=1S/C12H18O2/c13-7-8-14-9-12-10-5-3-1-2-4-6-11(10)12/h10-13H,3-9H2
InChIKeyZPJBVTBOCACHBK-UHFFFAOYSA-N
XLogP1.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,8S)-9-(5-bromopentoxymethyl)bicyclo[6.1.0]non-4-yne
CID 177466112
[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 75412402
3-[3-(9-bicyclo[6.1.0]non-4-ynylmethoxy)-3-methylbutoxy]-3-methylbutan-1-ol
CID 123524420
N-[2-[2-[2-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxy]ethoxy]ethoxy]ethoxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine
CID 89433387
3-[6-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxy]hexoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 89433338
9-bicyclo[6.1.0]non-4-ynylmethyl N-[2-[3-(2-hydroxyethyldisulfanyl)propoxy]ethyl]carbamate
CID 167151238
[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 172948321
[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 75412395
9-bicyclo[6.1.0]non-4-ynylmethyl N-[2-[3-(methylamino)-3-oxopropoxy]ethyl]carbamate
CID 170175803
4-O-[2-[2-[1-[[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methoxycarbonyl]piperidine-4-carbonyl]oxyethoxy]ethyl] 1-O-[[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl] piperidine-1,4-dicarboxylate
CID 140933432
[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxycarbonylamino]ethylamino]ethyl]carbamate
CID 168801078
9-bicyclo[6.1.0]non-4-ynylmethyl N-[2-[2-[2-[[(4Z)-9-bicyclo[6.1.0]non-4-enyl]methoxycarbonylamino]ethoxy]ethoxy]ethyl]carbamate
CID 137402895

Frequently Asked Questions

What is the IUPAC name of 2-(9-bicyclo[6.1.0]non-4-ynylmethoxy)ethanol?
The IUPAC name of 2-(9-bicyclo[6.1.0]non-4-ynylmethoxy)ethanol (CID 154803538) is 2-(9-bicyclo[6.1.0]non-4-ynylmethoxy)ethanol.
What is the SMILES notation for 2-(9-bicyclo[6.1.0]non-4-ynylmethoxy)ethanol?
The canonical SMILES for 2-(9-bicyclo[6.1.0]non-4-ynylmethoxy)ethanol is OCCOCC1C2CCC#CCCC21.
What is the InChIKey of 2-(9-bicyclo[6.1.0]non-4-ynylmethoxy)ethanol?
The InChIKey is ZPJBVTBOCACHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c13-7-8-14-9-12-10-5-3-1-2-4-6-11(10)12/h10-13H,3-9H2.
What are the key properties of 2-(9-bicyclo[6.1.0]non-4-ynylmethoxy)ethanol?
2-(9-bicyclo[6.1.0]non-4-ynylmethoxy)ethanol has a molecular weight of 194.27 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-bicyclo[6.1.0]non-4-ynylmethoxy)ethanol is sourced from PubChem (CID 154803538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).