1-(2-bicyclo[2.2.1]heptanyl)-5-(oxolan-2-yl)pentan-2-one

C16H26O2 — CID 114976701

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-5-(oxolan-2-yl)pentan-2-one
SMILESO=C(CCCC1CCCO1)CC1CC2CCC1C2
InChIInChI=1S/C16H26O2/c17-15(3-1-4-16-5-2-8-18-16)11-14-10-12-6-7-13(14)9-12/h12-14,16H,1-11H2
InChIKeyXARDRZYBXZANHR-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.73
Rot. Bonds6

About 1-(2-bicyclo[2.2.1]heptanyl)-5-(oxolan-2-yl)pentan-2-one

1-(2-bicyclo[2.2.1]heptanyl)-5-(oxolan-2-yl)pentan-2-one (PubChem CID 114976701) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-5-(oxolan-2-yl)pentan-2-one.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-5-(oxolan-2-yl)pentan-2-one
PubChem CID114976701
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-5-(oxolan-2-yl)pentan-2-one
SMILESO=C(CCCC1CCCO1)CC1CC2CCC1C2
InChIInChI=1S/C16H26O2/c17-15(3-1-4-16-5-2-8-18-16)11-14-10-12-6-7-13(14)9-12/h12-14,16H,1-11H2
InChIKeyXARDRZYBXZANHR-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-4-(oxolan-2-yl)butan-2-one
CID 114976894
5-(oxolan-2-yl)-1-(oxolan-3-yl)pentan-2-one
CID 103986354
1-chloro-7-(oxolan-2-yl)heptan-4-one
CID 66044442
7-(oxolan-2-yl)hept-1-en-4-one
CID 116659572
1-(oxolan-2-yl)undecan-4-one
CID 114976697
5-(oxolan-2-yl)pentanamide
CID 67128385
1-methylsulfonyl-5-(oxolan-2-yl)pentan-2-one
CID 115646806
6-amino-1-(2-bicyclo[2.2.1]heptanyl)-5-methylhexan-2-one
CID 116607458
5-[(2R)-oxolan-2-yl]pentanoic acid
CID 67391734
1-cyclohexyl-4-(oxolan-2-yl)butan-2-one
CID 114967671
1-(2-bicyclo[2.2.1]heptanyl)hept-5-yn-2-one
CID 115801619
7-(oxolan-2-yl)heptanoic acid
CID 174977398

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-5-(oxolan-2-yl)pentan-2-one?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-5-(oxolan-2-yl)pentan-2-one (CID 114976701) is 1-(2-bicyclo[2.2.1]heptanyl)-5-(oxolan-2-yl)pentan-2-one.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-5-(oxolan-2-yl)pentan-2-one?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-5-(oxolan-2-yl)pentan-2-one is O=C(CCCC1CCCO1)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-5-(oxolan-2-yl)pentan-2-one?
The InChIKey is XARDRZYBXZANHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c17-15(3-1-4-16-5-2-8-18-16)11-14-10-12-6-7-13(14)9-12/h12-14,16H,1-11H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-5-(oxolan-2-yl)pentan-2-one?
1-(2-bicyclo[2.2.1]heptanyl)-5-(oxolan-2-yl)pentan-2-one has a molecular weight of 250.38 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-5-(oxolan-2-yl)pentan-2-one is sourced from PubChem (CID 114976701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).