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

C15H26O3 — CID 23560905

IUPAC1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxolan-2-yl)propan-1-ol
SMILESCC1C2CC(C(O)CCC3OCCO3)C(C2)C1C
InChIInChI=1S/C15H26O3/c1-9-10(2)12-7-11(9)8-13(12)14(16)3-4-15-17-5-6-18-15/h9-16H,3-8H2,1-2H3
InChIKeyGDQZNLAXOWDSIT-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.43
Rot. Bonds4

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

1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxolan-2-yl)propan-1-ol (PubChem CID 23560905) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxolan-2-yl)propan-1-ol
PubChem CID23560905
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxolan-2-yl)propan-1-ol
SMILESCC1C2CC(C(O)CCC3OCCO3)C(C2)C1C
InChIInChI=1S/C15H26O3/c1-9-10(2)12-7-11(9)8-13(12)14(16)3-4-15-17-5-6-18-15/h9-16H,3-8H2,1-2H3
InChIKeyGDQZNLAXOWDSIT-UHFFFAOYSA-N
XLogP2.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxolan-2-yl)propan-1-ol?
The IUPAC name of 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxolan-2-yl)propan-1-ol (CID 23560905) is 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxolan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxolan-2-yl)propan-1-ol?
The canonical SMILES for 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxolan-2-yl)propan-1-ol is CC1C2CC(C(O)CCC3OCCO3)C(C2)C1C.
What is the InChIKey of 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxolan-2-yl)propan-1-ol?
The InChIKey is GDQZNLAXOWDSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-9-10(2)12-7-11(9)8-13(12)14(16)3-4-15-17-5-6-18-15/h9-16H,3-8H2,1-2H3.
What are the key properties of 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxolan-2-yl)propan-1-ol?
1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxolan-2-yl)propan-1-ol has a molecular weight of 254.37 g/mol, XLogP of 2.43, 4 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)-3-(1,3-dioxolan-2-yl)propan-1-ol is sourced from PubChem (CID 23560905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).