(1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-ol

C15H24O — CID 25159531

IUPAC(1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-ol
SMILESCC1(C)C2=CC(O)CC(C)(C)[C@]23CC[C@H]1C3
InChIInChI=1S/C15H24O/c1-13(2)9-11(16)7-12-14(3,4)10-5-6-15(12,13)8-10/h7,10-11,16H,5-6,8-9H2,1-4H3/t10-,11?,15-/m0/s1
InChIKeyFRHUREVUKCIJQL-VIBFFUDUSA-N
MW220.36 g/mol
LogP3.53
Rot. Bonds

About (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-ol

(1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-ol (PubChem CID 25159531) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-ol.

Molecular Properties

Compound Name(1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-ol
PubChem CID25159531
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-ol
SMILESCC1(C)C2=CC(O)CC(C)(C)[C@]23CC[C@H]1C3
InChIInChI=1S/C15H24O/c1-13(2)9-11(16)7-12-14(3,4)10-5-6-15(12,13)8-10/h7,10-11,16H,5-6,8-9H2,1-4H3/t10-,11?,15-/m0/s1
InChIKeyFRHUREVUKCIJQL-VIBFFUDUSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-ol?
The IUPAC name of (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-ol (CID 25159531) is (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-ol.
What is the SMILES notation for (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-ol?
The canonical SMILES for (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-ol is CC1(C)C2=CC(O)CC(C)(C)[C@]23CC[C@H]1C3.
What is the InChIKey of (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-ol?
The InChIKey is FRHUREVUKCIJQL-VIBFFUDUSA-N. The full InChI is InChI=1S/C15H24O/c1-13(2)9-11(16)7-12-14(3,4)10-5-6-15(12,13)8-10/h7,10-11,16H,5-6,8-9H2,1-4H3/t10-,11?,15-/m0/s1.
What are the key properties of (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-ol?
(1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-ol has a molecular weight of 220.36 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-ol is sourced from PubChem (CID 25159531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).