1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol

C15H26O2 — CID 72998753

IUPAC1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol
SMILESCC1=CCC(C)(C)C(O)C2CC2(C)C(O)CC1
InChIInChI=1S/C15H26O2/c1-10-5-6-12(16)15(4)9-11(15)13(17)14(2,3)8-7-10/h7,11-13,16-17H,5-6,8-9H2,1-4H3
InChIKeyRKDPETZBSSPSSM-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.89
Rot. Bonds

About 1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol

1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol (PubChem CID 72998753) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol.

Molecular Properties

Compound Name1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol
PubChem CID72998753
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol
SMILESCC1=CCC(C)(C)C(O)C2CC2(C)C(O)CC1
InChIInChI=1S/C15H26O2/c1-10-5-6-12(16)15(4)9-11(15)13(17)14(2,3)8-7-10/h7,11-13,16-17H,5-6,8-9H2,1-4H3
InChIKeyRKDPETZBSSPSSM-UHFFFAOYSA-N
XLogP2.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol?
The IUPAC name of 1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol (CID 72998753) is 1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol.
What is the SMILES notation for 1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol?
The canonical SMILES for 1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol is CC1=CCC(C)(C)C(O)C2CC2(C)C(O)CC1.
What is the InChIKey of 1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol?
The InChIKey is RKDPETZBSSPSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-10-5-6-12(16)15(4)9-11(15)13(17)14(2,3)8-7-10/h7,11-13,16-17H,5-6,8-9H2,1-4H3.
What are the key properties of 1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol?
1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol has a molecular weight of 238.37 g/mol, XLogP of 2.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol is sourced from PubChem (CID 72998753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).