4,7,7-trimethylbicyclo[4.1.0]heptane-2,4-diol

C10H18O2 — CID 18427141

IUPAC4,7,7-trimethylbicyclo[4.1.0]heptane-2,4-diol
SMILESCC1(O)CC(O)C2C(C1)C2(C)C
InChIInChI=1S/C10H18O2/c1-9(2)6-4-10(3,12)5-7(11)8(6)9/h6-8,11-12H,4-5H2,1-3H3
InChIKeyUVDDVYOTZVVTAC-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.16
Rot. Bonds

About 4,7,7-trimethylbicyclo[4.1.0]heptane-2,4-diol

4,7,7-trimethylbicyclo[4.1.0]heptane-2,4-diol (PubChem CID 18427141) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4,7,7-trimethylbicyclo[4.1.0]heptane-2,4-diol.

Molecular Properties

Compound Name4,7,7-trimethylbicyclo[4.1.0]heptane-2,4-diol
PubChem CID18427141
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4,7,7-trimethylbicyclo[4.1.0]heptane-2,4-diol
SMILESCC1(O)CC(O)C2C(C1)C2(C)C
InChIInChI=1S/C10H18O2/c1-9(2)6-4-10(3,12)5-7(11)8(6)9/h6-8,11-12H,4-5H2,1-3H3
InChIKeyUVDDVYOTZVVTAC-UHFFFAOYSA-N
XLogP1.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethylbicyclo[4.1.0]heptane-2,4-diol?
The IUPAC name of 4,7,7-trimethylbicyclo[4.1.0]heptane-2,4-diol (CID 18427141) is 4,7,7-trimethylbicyclo[4.1.0]heptane-2,4-diol.
What is the SMILES notation for 4,7,7-trimethylbicyclo[4.1.0]heptane-2,4-diol?
The canonical SMILES for 4,7,7-trimethylbicyclo[4.1.0]heptane-2,4-diol is CC1(O)CC(O)C2C(C1)C2(C)C.
What is the InChIKey of 4,7,7-trimethylbicyclo[4.1.0]heptane-2,4-diol?
The InChIKey is UVDDVYOTZVVTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)6-4-10(3,12)5-7(11)8(6)9/h6-8,11-12H,4-5H2,1-3H3.
What are the key properties of 4,7,7-trimethylbicyclo[4.1.0]heptane-2,4-diol?
4,7,7-trimethylbicyclo[4.1.0]heptane-2,4-diol has a molecular weight of 170.25 g/mol, XLogP of 1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethylbicyclo[4.1.0]heptane-2,4-diol is sourced from PubChem (CID 18427141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).