2-octoxybicyclo[2.2.1]heptan-1-ol

C15H28O2 — CID 68718849

IUPAC2-octoxybicyclo[2.2.1]heptan-1-ol
SMILESCCCCCCCCOC1CC2CCC1(O)C2
InChIInChI=1S/C15H28O2/c1-2-3-4-5-6-7-10-17-14-11-13-8-9-15(14,16)12-13/h13-14,16H,2-12H2,1H3
InChIKeyLNSFLGJAHFHOTP-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.67
Rot. Bonds8

About 2-octoxybicyclo[2.2.1]heptan-1-ol

2-octoxybicyclo[2.2.1]heptan-1-ol (PubChem CID 68718849) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-octoxybicyclo[2.2.1]heptan-1-ol.

Molecular Properties

Compound Name2-octoxybicyclo[2.2.1]heptan-1-ol
PubChem CID68718849
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-octoxybicyclo[2.2.1]heptan-1-ol
SMILESCCCCCCCCOC1CC2CCC1(O)C2
InChIInChI=1S/C15H28O2/c1-2-3-4-5-6-7-10-17-14-11-13-8-9-15(14,16)12-13/h13-14,16H,2-12H2,1H3
InChIKeyLNSFLGJAHFHOTP-UHFFFAOYSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-diethyl-3-heptoxycyclobutan-1-ol
CID 66368150
heptoxycyclopropane
CID 54099544
2-hexoxybicyclo[2.2.1]heptane
CID 56615606
3-heptoxy-2,2-dimethylcyclobutan-1-amine
CID 66359446
3-heptoxy-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79648352
1-amino-3-pentoxycyclohexane-1-carboxylic acid
CID 79638175
bicyclo[2.2.1]heptane;heptane
CID 161465006
pentadecoxycyclopentane
CID 155570194
1-ethoxy-4-hexoxycyclohexane
CID 147022477
octoxycyclopentane
CID 14691467
2-heptoxycyclohexan-1-ol
CID 18953012
2-bromo-1,1-dimethyl-4-pentoxycyclobutane
CID 66346400

Frequently Asked Questions

What is the IUPAC name of 2-octoxybicyclo[2.2.1]heptan-1-ol?
The IUPAC name of 2-octoxybicyclo[2.2.1]heptan-1-ol (CID 68718849) is 2-octoxybicyclo[2.2.1]heptan-1-ol.
What is the SMILES notation for 2-octoxybicyclo[2.2.1]heptan-1-ol?
The canonical SMILES for 2-octoxybicyclo[2.2.1]heptan-1-ol is CCCCCCCCOC1CC2CCC1(O)C2.
What is the InChIKey of 2-octoxybicyclo[2.2.1]heptan-1-ol?
The InChIKey is LNSFLGJAHFHOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-2-3-4-5-6-7-10-17-14-11-13-8-9-15(14,16)12-13/h13-14,16H,2-12H2,1H3.
What are the key properties of 2-octoxybicyclo[2.2.1]heptan-1-ol?
2-octoxybicyclo[2.2.1]heptan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octoxybicyclo[2.2.1]heptan-1-ol is sourced from PubChem (CID 68718849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).