1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol

C17H30O3 — CID 23560908

IUPAC1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol
SMILESCC1C2CC(CC(O)CCC3OCCCO3)C(C2)C1C
InChIInChI=1S/C17H30O3/c1-11-12(2)16-10-13(11)8-14(16)9-15(18)4-5-17-19-6-3-7-20-17/h11-18H,3-10H2,1-2H3
InChIKeyJVOHFYMTMAXURB-UHFFFAOYSA-N
MW282.42 g/mol
LogP3.21
Rot. Bonds5

About 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol

1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol (PubChem CID 23560908) 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)-4-(1,3-dioxan-2-yl)butan-2-ol.

Molecular Properties

Compound Name1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol
PubChem CID23560908
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol
SMILESCC1C2CC(CC(O)CCC3OCCCO3)C(C2)C1C
InChIInChI=1S/C17H30O3/c1-11-12(2)16-10-13(11)8-14(16)9-15(18)4-5-17-19-6-3-7-20-17/h11-18H,3-10H2,1-2H3
InChIKeyJVOHFYMTMAXURB-UHFFFAOYSA-N
XLogP3.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Analyze 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-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-(2,4-diethylcyclopentyl)-4-(1,3-dioxan-2-yl)butan-2-ol
CID 23560891
2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-fluoroethanol
CID 23405415
1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxolan-2-yl)pentan-1-ol
CID 23560915
3-(1,3-dioxan-2-yl)propane-1,1-diol
CID 144545120
1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-7-ethoxyheptan-4-ol
CID 21361769
2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-1,3-dioxane
CID 23560999
2-[4-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)butyl]-2-propan-2-yl-1,3-dioxane
CID 23560957
1-(1,3-dioxan-2-yl)butan-2-ol
CID 130148324
actinium;1-(2,4-diethylcyclopentyl)-3-(1,3-dioxan-2-yl)propan-1-ol
CID 23560887
2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane
CID 91071611
(2S)-1-(1,3-dioxan-2-yl)propan-2-ol
CID 14290520

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol?
The IUPAC name of 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol (CID 23560908) is 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol.
What is the SMILES notation for 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol?
The canonical SMILES for 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol is CC1C2CC(CC(O)CCC3OCCCO3)C(C2)C1C.
What is the InChIKey of 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol?
The InChIKey is JVOHFYMTMAXURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-11-12(2)16-10-13(11)8-14(16)9-15(18)4-5-17-19-6-3-7-20-17/h11-18H,3-10H2,1-2H3.
What are the key properties of 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol?
1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol has a molecular weight of 282.42 g/mol, XLogP of 3.21, 5 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)-4-(1,3-dioxan-2-yl)butan-2-ol is sourced from PubChem (CID 23560908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).