[(1R,2R,5S,7R)-2,6,6-trimethyl-9-tricyclo[5.3.1.01,5]undec-9-enyl]methanol

C15H24O — CID 118286509

IUPAC[(1R,2R,5S,7R)-2,6,6-trimethyl-9-tricyclo[5.3.1.01,5]undec-9-enyl]methanol
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@H]3CC(CO)=C[C@@]12C3
InChIInChI=1S/C15H24O/c1-10-4-5-13-14(2,3)12-6-11(9-16)7-15(10,13)8-12/h7,10,12-13,16H,4-6,8-9H2,1-3H3/t10-,12+,13+,15-/m1/s1
InChIKeyMECXOTXTFBKWNZ-GVUJHPQVSA-N
MW220.36 g/mol
LogP3.39
Rot. Bonds1

About [(1R,2R,5S,7R)-2,6,6-trimethyl-9-tricyclo[5.3.1.01,5]undec-9-enyl]methanol

[(1R,2R,5S,7R)-2,6,6-trimethyl-9-tricyclo[5.3.1.01,5]undec-9-enyl]methanol (PubChem CID 118286509) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is [(1R,2R,5S,7R)-2,6,6-trimethyl-9-tricyclo[5.3.1.01,5]undec-9-enyl]methanol.

Molecular Properties

Compound Name[(1R,2R,5S,7R)-2,6,6-trimethyl-9-tricyclo[5.3.1.01,5]undec-9-enyl]methanol
PubChem CID118286509
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name[(1R,2R,5S,7R)-2,6,6-trimethyl-9-tricyclo[5.3.1.01,5]undec-9-enyl]methanol
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@H]3CC(CO)=C[C@@]12C3
InChIInChI=1S/C15H24O/c1-10-4-5-13-14(2,3)12-6-11(9-16)7-15(10,13)8-12/h7,10,12-13,16H,4-6,8-9H2,1-3H3/t10-,12+,13+,15-/m1/s1
InChIKeyMECXOTXTFBKWNZ-GVUJHPQVSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.39
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,2R,5S,7R)-2,6,6-trimethyl-9-tricyclo[5.3.1.01,5]undec-9-enyl]methanol?
The IUPAC name of [(1R,2R,5S,7R)-2,6,6-trimethyl-9-tricyclo[5.3.1.01,5]undec-9-enyl]methanol (CID 118286509) is [(1R,2R,5S,7R)-2,6,6-trimethyl-9-tricyclo[5.3.1.01,5]undec-9-enyl]methanol.
What is the SMILES notation for [(1R,2R,5S,7R)-2,6,6-trimethyl-9-tricyclo[5.3.1.01,5]undec-9-enyl]methanol?
The canonical SMILES for [(1R,2R,5S,7R)-2,6,6-trimethyl-9-tricyclo[5.3.1.01,5]undec-9-enyl]methanol is C[C@@H]1CC[C@H]2C(C)(C)[C@H]3CC(CO)=C[C@@]12C3.
What is the InChIKey of [(1R,2R,5S,7R)-2,6,6-trimethyl-9-tricyclo[5.3.1.01,5]undec-9-enyl]methanol?
The InChIKey is MECXOTXTFBKWNZ-GVUJHPQVSA-N. The full InChI is InChI=1S/C15H24O/c1-10-4-5-13-14(2,3)12-6-11(9-16)7-15(10,13)8-12/h7,10,12-13,16H,4-6,8-9H2,1-3H3/t10-,12+,13+,15-/m1/s1.
What are the key properties of [(1R,2R,5S,7R)-2,6,6-trimethyl-9-tricyclo[5.3.1.01,5]undec-9-enyl]methanol?
[(1R,2R,5S,7R)-2,6,6-trimethyl-9-tricyclo[5.3.1.01,5]undec-9-enyl]methanol has a molecular weight of 220.36 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,5S,7R)-2,6,6-trimethyl-9-tricyclo[5.3.1.01,5]undec-9-enyl]methanol is sourced from PubChem (CID 118286509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).