[2-(2-butoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanol

C14H26O2 — CID 66025394

IUPAC[2-(2-butoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanol
SMILESCCCCOCCC1(CO)CC2CCC1C2
InChIInChI=1S/C14H26O2/c1-2-3-7-16-8-6-14(11-15)10-12-4-5-13(14)9-12/h12-13,15H,2-11H2,1H3
InChIKeyLAFPQMBVJZOYQH-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.99
Rot. Bonds7

About [2-(2-butoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanol

[2-(2-butoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanol (PubChem CID 66025394) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is [2-(2-butoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanol.

Molecular Properties

Compound Name[2-(2-butoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanol
PubChem CID66025394
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name[2-(2-butoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanol
SMILESCCCCOCCC1(CO)CC2CCC1C2
InChIInChI=1S/C14H26O2/c1-2-3-7-16-8-6-14(11-15)10-12-4-5-13(14)9-12/h12-13,15H,2-11H2,1H3
InChIKeyLAFPQMBVJZOYQH-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-(2-butoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanol with MolForge

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Related Compounds

[2-(2-propoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 106456768
2-(bromomethyl)-2-(2-propoxyethyl)bicyclo[2.2.1]heptane
CID 106459586
N-[[2-[2-(3-methoxypropoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 103183453
[2-[2-(4-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol
CID 66026056
2-methyl-N-[[2-[2-(3-methylbutoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63520960
N-[(2-nonyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-1-amine
CID 63520946
N-methyl-1-(2-propyl-2-bicyclo[2.2.1]heptanyl)methanamine
CID 62725163
N-[[2-(2-propan-2-yloxyethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 62723558
N-[(2-hexyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine
CID 63522001
2-nonylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 55185786
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(chloromethyl)bicyclo[3.1.0]hexane
CID 104568778
[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol
CID 103017855

Frequently Asked Questions

What is the IUPAC name of [2-(2-butoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanol?
The IUPAC name of [2-(2-butoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanol (CID 66025394) is [2-(2-butoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanol.
What is the SMILES notation for [2-(2-butoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanol?
The canonical SMILES for [2-(2-butoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanol is CCCCOCCC1(CO)CC2CCC1C2.
What is the InChIKey of [2-(2-butoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanol?
The InChIKey is LAFPQMBVJZOYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-2-3-7-16-8-6-14(11-15)10-12-4-5-13(14)9-12/h12-13,15H,2-11H2,1H3.
What are the key properties of [2-(2-butoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanol?
[2-(2-butoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanol has a molecular weight of 226.36 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-butoxyethyl)-2-bicyclo[2.2.1]heptanyl]methanol is sourced from PubChem (CID 66025394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).