3-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane

C16H26O — CID 23555975

IUPAC3-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane
SMILESC1=CC2CC1CC2CCCCCC1CCOC1
InChIInChI=1S/C16H26O/c1(2-4-13-8-9-17-12-13)3-5-15-10-14-6-7-16(15)11-14/h6-7,13-16H,1-5,8-12H2
InChIKeyOOIWOOVDHOHSTJ-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.19
Rot. Bonds6

About 3-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane

3-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane (PubChem CID 23555975) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 3-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane.

Molecular Properties

Compound Name3-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane
PubChem CID23555975
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name3-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane
SMILESC1=CC2CC1CC2CCCCCC1CCOC1
InChIInChI=1S/C16H26O/c1(2-4-13-8-9-17-12-13)3-5-15-10-14-6-7-16(15)11-14/h6-7,13-16H,1-5,8-12H2
InChIKeyOOIWOOVDHOHSTJ-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3,3a,4,5,6,7,8,9,10,11,13a-Dodecahydrocyclododeca(c)furan
CID 5750515
14-Oxabicyclo[10.3.0]pentadec-10-ene
CID 103490
5-(2-Bicyclo[2.2.1]hept-5-enylmethoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 12574061
5-(Octaoxymethyl)-2-norbornene
CID 86185185
(4Z)-1,3,3a,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[c]furan
CID 5937114
1,3,3a,4,7,7a-Hexahydro-4,7-methanoisobenzofuran
CID 548729
(1S,2R,6S,7R)-4-oxatricyclo[5.2.1.02,6]dec-8-ene
CID 12485265
5-(Decoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 90727032
Magnesium;5-(pentoxymethyl)bicyclo[2.2.1]hept-2-ene;bromide
CID 134897394
(1S,4S,5S)-5-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxymethyl]bicyclo[2.2.1]hept-2-ene
CID 21587344
(1S,4S,5R)-5-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxymethyl]bicyclo[2.2.1]hept-2-ene
CID 21587346
(3aS,7aR)-spiro[3a,4,7,7a-tetrahydro-1H-2-benzofuran-3,1'-cyclopentane]
CID 21638397

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane?
The IUPAC name of 3-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane (CID 23555975) is 3-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane.
What is the SMILES notation for 3-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane?
The canonical SMILES for 3-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane is C1=CC2CC1CC2CCCCCC1CCOC1.
What is the InChIKey of 3-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane?
The InChIKey is OOIWOOVDHOHSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1(2-4-13-8-9-17-12-13)3-5-15-10-14-6-7-16(15)11-14/h6-7,13-16H,1-5,8-12H2.
What are the key properties of 3-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane?
3-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane has a molecular weight of 234.38 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-bicyclo[2.2.1]hept-5-enyl)pentyl]oxolane is sourced from PubChem (CID 23555975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).