1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol

C17H30O3 — CID 23560915

IUPAC1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol
SMILESCC1C2CC(C(O)CCCCC3OCCO3)C(C2)C1C
InChIInChI=1S/C17H30O3/c1-11-12(2)14-9-13(11)10-15(14)16(18)5-3-4-6-17-19-7-8-20-17/h11-18H,3-10H2,1-2H3
InChIKeyNFEHEZNLYRAGOT-UHFFFAOYSA-N
MW282.42 g/mol
LogP3.21
Rot. Bonds6

About 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol

1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol (PubChem CID 23560915) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol.

Molecular Properties

Compound Name1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol
PubChem CID23560915
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol
SMILESCC1C2CC(C(O)CCCCC3OCCO3)C(C2)C1C
InChIInChI=1S/C17H30O3/c1-11-12(2)14-9-13(11)10-15(14)16(18)5-3-4-6-17-19-7-8-20-17/h11-18H,3-10H2,1-2H3
InChIKeyNFEHEZNLYRAGOT-UHFFFAOYSA-N
XLogP3.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol with MolForge

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Related Compounds

actinium;bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-1-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol);bis(6-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-(1,3-dioxan-2-yl)hexan-3-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxan-2-yl)pentan-1-ol);bis(1-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-(2-methyl-1,3-dioxan-2-yl)propan-1-ol)
CID 158040391
1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanol
CID 20721971
1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol
CID 23560908
2-[7-(1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane
CID 101148003
1-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-1-ol
CID 23560890
2-(9-iodononyl)-1,3-dioxolane
CID 10496328
1-(2-methyloxolan-3-yl)heptan-1-ol
CID 115783418
actinium;bis(6-(2-bicyclo[2.2.1]hept-5-enyl)-1-(1,3-dioxan-2-yl)hexan-3-ol);bis(1-(2-bicyclo[2.2.1]hept-5-enyl)-5-(1,3-dioxan-2-yl)pentan-1-ol);bis(3-(2-methyl-1,3-dioxan-2-yl)-1-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propan-1-ol)
CID 158508805
2-(4-chlorobutyl)-1,3-dioxolane
CID 5163683
2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-fluoroethanol
CID 23405415
5-(1,3-dioxolan-2-yl)pentane-1-thiol
CID 154809639
2-[4-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)butyl]-2-propan-2-yl-1,3-dioxane
CID 23560957

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol?
The IUPAC name of 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol (CID 23560915) is 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol.
What is the SMILES notation for 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol?
The canonical SMILES for 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol is CC1C2CC(C(O)CCCCC3OCCO3)C(C2)C1C.
What is the InChIKey of 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol?
The InChIKey is NFEHEZNLYRAGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-11-12(2)14-9-13(11)10-15(14)16(18)5-3-4-6-17-19-7-8-20-17/h11-18H,3-10H2,1-2H3.
What are the key properties of 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol?
1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol has a molecular weight of 282.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol is sourced from PubChem (CID 23560915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).