[(2R,4S,7S,8R)-2,4,8-trimethyl-2-tricyclo[5.3.1.04,11]undec-1(11)-enyl]methanol

C15H24O — CID 102482275

IUPAC[(2R,4S,7S,8R)-2,4,8-trimethyl-2-tricyclo[5.3.1.04,11]undec-1(11)-enyl]methanol
SMILESC[C@@H]1CCC2=C3[C@H]1CC[C@@]3(C)C[C@@]2(C)CO
InChIInChI=1S/C15H24O/c1-10-4-5-12-13-11(10)6-7-14(13,2)8-15(12,3)9-16/h10-11,16H,4-9H2,1-3H3/t10-,11+,14+,15+/m1/s1
InChIKeyUTKCUTQPQQMYJI-PKIAMQTDSA-N
MW220.36 g/mol
LogP3.53
Rot. Bonds1

About [(2R,4S,7S,8R)-2,4,8-trimethyl-2-tricyclo[5.3.1.04,11]undec-1(11)-enyl]methanol

[(2R,4S,7S,8R)-2,4,8-trimethyl-2-tricyclo[5.3.1.04,11]undec-1(11)-enyl]methanol (PubChem CID 102482275) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is [(2R,4S,7S,8R)-2,4,8-trimethyl-2-tricyclo[5.3.1.04,11]undec-1(11)-enyl]methanol.

Molecular Properties

Compound Name[(2R,4S,7S,8R)-2,4,8-trimethyl-2-tricyclo[5.3.1.04,11]undec-1(11)-enyl]methanol
PubChem CID102482275
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name[(2R,4S,7S,8R)-2,4,8-trimethyl-2-tricyclo[5.3.1.04,11]undec-1(11)-enyl]methanol
SMILESC[C@@H]1CCC2=C3[C@H]1CC[C@@]3(C)C[C@@]2(C)CO
InChIInChI=1S/C15H24O/c1-10-4-5-12-13-11(10)6-7-14(13,2)8-15(12,3)9-16/h10-11,16H,4-9H2,1-3H3/t10-,11+,14+,15+/m1/s1
InChIKeyUTKCUTQPQQMYJI-PKIAMQTDSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [(2R,4S,7S,8R)-2,4,8-trimethyl-2-tricyclo[5.3.1.04,11]undec-1(11)-enyl]methanol?
The IUPAC name of [(2R,4S,7S,8R)-2,4,8-trimethyl-2-tricyclo[5.3.1.04,11]undec-1(11)-enyl]methanol (CID 102482275) is [(2R,4S,7S,8R)-2,4,8-trimethyl-2-tricyclo[5.3.1.04,11]undec-1(11)-enyl]methanol.
What is the SMILES notation for [(2R,4S,7S,8R)-2,4,8-trimethyl-2-tricyclo[5.3.1.04,11]undec-1(11)-enyl]methanol?
The canonical SMILES for [(2R,4S,7S,8R)-2,4,8-trimethyl-2-tricyclo[5.3.1.04,11]undec-1(11)-enyl]methanol is C[C@@H]1CCC2=C3[C@H]1CC[C@@]3(C)C[C@@]2(C)CO.
What is the InChIKey of [(2R,4S,7S,8R)-2,4,8-trimethyl-2-tricyclo[5.3.1.04,11]undec-1(11)-enyl]methanol?
The InChIKey is UTKCUTQPQQMYJI-PKIAMQTDSA-N. The full InChI is InChI=1S/C15H24O/c1-10-4-5-12-13-11(10)6-7-14(13,2)8-15(12,3)9-16/h10-11,16H,4-9H2,1-3H3/t10-,11+,14+,15+/m1/s1.
What are the key properties of [(2R,4S,7S,8R)-2,4,8-trimethyl-2-tricyclo[5.3.1.04,11]undec-1(11)-enyl]methanol?
[(2R,4S,7S,8R)-2,4,8-trimethyl-2-tricyclo[5.3.1.04,11]undec-1(11)-enyl]methanol has a molecular weight of 220.36 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,7S,8R)-2,4,8-trimethyl-2-tricyclo[5.3.1.04,11]undec-1(11)-enyl]methanol is sourced from PubChem (CID 102482275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).