(1S,2R,3R,5R,7R,8R)-2,6,6,9-tetramethyltricyclo[5.4.0.03,8]undec-9-en-5-ol

C15H24O — CID 24939658

IUPAC(1S,2R,3R,5R,7R,8R)-2,6,6,9-tetramethyltricyclo[5.4.0.03,8]undec-9-en-5-ol
SMILESCC1=CC[C@H]2[C@@H](C)[C@H]3C[C@@H](O)C(C)(C)[C@H]2[C@H]13
InChIInChI=1S/C15H24O/c1-8-5-6-10-9(2)11-7-12(16)15(3,4)14(10)13(8)11/h5,9-14,16H,6-7H2,1-4H3/t9-,10+,11-,12-,13-,14-/m1/s1
InChIKeyBKVSLRNACLERRN-KLVXDSBYSA-N
MW220.36 g/mol
LogP3.24
Rot. Bonds

About (1S,2R,3R,5R,7R,8R)-2,6,6,9-tetramethyltricyclo[5.4.0.03,8]undec-9-en-5-ol

(1S,2R,3R,5R,7R,8R)-2,6,6,9-tetramethyltricyclo[5.4.0.03,8]undec-9-en-5-ol (PubChem CID 24939658) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1S,2R,3R,5R,7R,8R)-2,6,6,9-tetramethyltricyclo[5.4.0.03,8]undec-9-en-5-ol.

Molecular Properties

Compound Name(1S,2R,3R,5R,7R,8R)-2,6,6,9-tetramethyltricyclo[5.4.0.03,8]undec-9-en-5-ol
PubChem CID24939658
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1S,2R,3R,5R,7R,8R)-2,6,6,9-tetramethyltricyclo[5.4.0.03,8]undec-9-en-5-ol
SMILESCC1=CC[C@H]2[C@@H](C)[C@H]3C[C@@H](O)C(C)(C)[C@H]2[C@H]13
InChIInChI=1S/C15H24O/c1-8-5-6-10-9(2)11-7-12(16)15(3,4)14(10)13(8)11/h5,9-14,16H,6-7H2,1-4H3/t9-,10+,11-,12-,13-,14-/m1/s1
InChIKeyBKVSLRNACLERRN-KLVXDSBYSA-N
XLogP3.24
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 ≤ 53.24
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 (1S,2R,3R,5R,7R,8R)-2,6,6,9-tetramethyltricyclo[5.4.0.03,8]undec-9-en-5-ol?
The IUPAC name of (1S,2R,3R,5R,7R,8R)-2,6,6,9-tetramethyltricyclo[5.4.0.03,8]undec-9-en-5-ol (CID 24939658) is (1S,2R,3R,5R,7R,8R)-2,6,6,9-tetramethyltricyclo[5.4.0.03,8]undec-9-en-5-ol.
What is the SMILES notation for (1S,2R,3R,5R,7R,8R)-2,6,6,9-tetramethyltricyclo[5.4.0.03,8]undec-9-en-5-ol?
The canonical SMILES for (1S,2R,3R,5R,7R,8R)-2,6,6,9-tetramethyltricyclo[5.4.0.03,8]undec-9-en-5-ol is CC1=CC[C@H]2[C@@H](C)[C@H]3C[C@@H](O)C(C)(C)[C@H]2[C@H]13.
What is the InChIKey of (1S,2R,3R,5R,7R,8R)-2,6,6,9-tetramethyltricyclo[5.4.0.03,8]undec-9-en-5-ol?
The InChIKey is BKVSLRNACLERRN-KLVXDSBYSA-N. The full InChI is InChI=1S/C15H24O/c1-8-5-6-10-9(2)11-7-12(16)15(3,4)14(10)13(8)11/h5,9-14,16H,6-7H2,1-4H3/t9-,10+,11-,12-,13-,14-/m1/s1.
What are the key properties of (1S,2R,3R,5R,7R,8R)-2,6,6,9-tetramethyltricyclo[5.4.0.03,8]undec-9-en-5-ol?
(1S,2R,3R,5R,7R,8R)-2,6,6,9-tetramethyltricyclo[5.4.0.03,8]undec-9-en-5-ol has a molecular weight of 220.36 g/mol, XLogP of 3.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,5R,7R,8R)-2,6,6,9-tetramethyltricyclo[5.4.0.03,8]undec-9-en-5-ol is sourced from PubChem (CID 24939658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).