(1R,2S,5E,9S,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol

C15H26O2 — CID 10331790

IUPAC(1R,2S,5E,9S,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol
SMILESC/C1=C\CC(C)(C)[C@@H](O)[C@H]2C[C@@]2(C)[C@@H](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/b10-7+/t11-,12+,13+,15-/m1/s1
InChIKeyRKDPETZBSSPSSM-SSHMBCCFSA-N
MW238.37 g/mol
LogP2.89
Rot. Bonds

About (1R,2S,5E,9S,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol

(1R,2S,5E,9S,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol (PubChem CID 10331790) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1R,2S,5E,9S,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol.

Molecular Properties

Compound Name(1R,2S,5E,9S,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol
PubChem CID10331790
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1R,2S,5E,9S,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol
SMILESC/C1=C\CC(C)(C)[C@@H](O)[C@H]2C[C@@]2(C)[C@@H](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/b10-7+/t11-,12+,13+,15-/m1/s1
InChIKeyRKDPETZBSSPSSM-SSHMBCCFSA-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 (1R,2S,5E,9S,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol?
The IUPAC name of (1R,2S,5E,9S,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol (CID 10331790) is (1R,2S,5E,9S,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol.
What is the SMILES notation for (1R,2S,5E,9S,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol?
The canonical SMILES for (1R,2S,5E,9S,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol is C/C1=C\CC(C)(C)[C@@H](O)[C@H]2C[C@@]2(C)[C@@H](O)CC1.
What is the InChIKey of (1R,2S,5E,9S,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol?
The InChIKey is RKDPETZBSSPSSM-SSHMBCCFSA-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/b10-7+/t11-,12+,13+,15-/m1/s1.
What are the key properties of (1R,2S,5E,9S,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol?
(1R,2S,5E,9S,10S)-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 (1R,2S,5E,9S,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol is sourced from PubChem (CID 10331790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).