[(1R,2S,5R,6S)-2,4,6-trimethyl-2-tricyclo[3.3.3.01,5]undec-3-enyl]methanol

C15H24O — CID 42608196

IUPAC[(1R,2S,5R,6S)-2,4,6-trimethyl-2-tricyclo[3.3.3.01,5]undec-3-enyl]methanol
SMILESCC1=C[C@](C)(CO)[C@@]23CCC[C@@]12[C@@H](C)CC3
InChIInChI=1S/C15H24O/c1-11-5-8-14-6-4-7-15(11,14)12(2)9-13(14,3)10-16/h9,11,16H,4-8,10H2,1-3H3/t11-,13+,14-,15+/m0/s1
InChIKeyPKIVAOLKVPUUIW-PMOUVXMZSA-N
MW220.36 g/mol
LogP3.53
Rot. Bonds1

About [(1R,2S,5R,6S)-2,4,6-trimethyl-2-tricyclo[3.3.3.01,5]undec-3-enyl]methanol

[(1R,2S,5R,6S)-2,4,6-trimethyl-2-tricyclo[3.3.3.01,5]undec-3-enyl]methanol (PubChem CID 42608196) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is [(1R,2S,5R,6S)-2,4,6-trimethyl-2-tricyclo[3.3.3.01,5]undec-3-enyl]methanol.

Molecular Properties

Compound Name[(1R,2S,5R,6S)-2,4,6-trimethyl-2-tricyclo[3.3.3.01,5]undec-3-enyl]methanol
PubChem CID42608196
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name[(1R,2S,5R,6S)-2,4,6-trimethyl-2-tricyclo[3.3.3.01,5]undec-3-enyl]methanol
SMILESCC1=C[C@](C)(CO)[C@@]23CCC[C@@]12[C@@H](C)CC3
InChIInChI=1S/C15H24O/c1-11-5-8-14-6-4-7-15(11,14)12(2)9-13(14,3)10-16/h9,11,16H,4-8,10H2,1-3H3/t11-,13+,14-,15+/m0/s1
InChIKeyPKIVAOLKVPUUIW-PMOUVXMZSA-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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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R,6S)-2,4,6-trimethyl-2-tricyclo[3.3.3.01,5]undec-3-enyl]methanol?
The IUPAC name of [(1R,2S,5R,6S)-2,4,6-trimethyl-2-tricyclo[3.3.3.01,5]undec-3-enyl]methanol (CID 42608196) is [(1R,2S,5R,6S)-2,4,6-trimethyl-2-tricyclo[3.3.3.01,5]undec-3-enyl]methanol.
What is the SMILES notation for [(1R,2S,5R,6S)-2,4,6-trimethyl-2-tricyclo[3.3.3.01,5]undec-3-enyl]methanol?
The canonical SMILES for [(1R,2S,5R,6S)-2,4,6-trimethyl-2-tricyclo[3.3.3.01,5]undec-3-enyl]methanol is CC1=C[C@](C)(CO)[C@@]23CCC[C@@]12[C@@H](C)CC3.
What is the InChIKey of [(1R,2S,5R,6S)-2,4,6-trimethyl-2-tricyclo[3.3.3.01,5]undec-3-enyl]methanol?
The InChIKey is PKIVAOLKVPUUIW-PMOUVXMZSA-N. The full InChI is InChI=1S/C15H24O/c1-11-5-8-14-6-4-7-15(11,14)12(2)9-13(14,3)10-16/h9,11,16H,4-8,10H2,1-3H3/t11-,13+,14-,15+/m0/s1.
What are the key properties of [(1R,2S,5R,6S)-2,4,6-trimethyl-2-tricyclo[3.3.3.01,5]undec-3-enyl]methanol?
[(1R,2S,5R,6S)-2,4,6-trimethyl-2-tricyclo[3.3.3.01,5]undec-3-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 [(1R,2S,5R,6S)-2,4,6-trimethyl-2-tricyclo[3.3.3.01,5]undec-3-enyl]methanol is sourced from PubChem (CID 42608196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).