3-heptyl-8-oxabicyclo[3.2.1]octan-3-ol

C14H26O2 — CID 171964257

IUPAC3-heptyl-8-oxabicyclo[3.2.1]octan-3-ol
SMILESCCCCCCCC1(O)CC2CCC(C1)O2
InChIInChI=1S/C14H26O2/c1-2-3-4-5-6-9-14(15)10-12-7-8-13(11-14)16-12/h12-13,15H,2-11H2,1H3
InChIKeyHLNWHHLTEFCDTF-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.42
Rot. Bonds6

About 3-heptyl-8-oxabicyclo[3.2.1]octan-3-ol

3-heptyl-8-oxabicyclo[3.2.1]octan-3-ol (PubChem CID 171964257) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-heptyl-8-oxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-heptyl-8-oxabicyclo[3.2.1]octan-3-ol
PubChem CID171964257
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name3-heptyl-8-oxabicyclo[3.2.1]octan-3-ol
SMILESCCCCCCCC1(O)CC2CCC(C1)O2
InChIInChI=1S/C14H26O2/c1-2-3-4-5-6-9-14(15)10-12-7-8-13(11-14)16-12/h12-13,15H,2-11H2,1H3
InChIKeyHLNWHHLTEFCDTF-UHFFFAOYSA-N
XLogP3.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.42
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

3-dodecyl-8-azabicyclo[3.2.1]octan-3-ol
CID 65145844
9,9-dioxo-3-undecyl-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171962632
3-dodecyl-9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171957537
8-methyl-3-pentadecyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171953542
3-octyl-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171959535
2-decyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 65394082
3-ethoxy-1-hexylcyclobutan-1-ol
CID 106823263
1-heptadecylcyclopropan-1-ol
CID 2802251
2-pentyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 65394706
(2-octyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 65394473
1-decyl-4-ethylcyclohexan-1-ol
CID 65147378
9-methyl-3-pentyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952833

Frequently Asked Questions

What is the IUPAC name of 3-heptyl-8-oxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-heptyl-8-oxabicyclo[3.2.1]octan-3-ol (CID 171964257) is 3-heptyl-8-oxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-heptyl-8-oxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-heptyl-8-oxabicyclo[3.2.1]octan-3-ol is CCCCCCCC1(O)CC2CCC(C1)O2.
What is the InChIKey of 3-heptyl-8-oxabicyclo[3.2.1]octan-3-ol?
The InChIKey is HLNWHHLTEFCDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-2-3-4-5-6-9-14(15)10-12-7-8-13(11-14)16-12/h12-13,15H,2-11H2,1H3.
What are the key properties of 3-heptyl-8-oxabicyclo[3.2.1]octan-3-ol?
3-heptyl-8-oxabicyclo[3.2.1]octan-3-ol has a molecular weight of 226.36 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptyl-8-oxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171964257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).