[(1S,2S,5S,8R)-2,6,8-trimethyl-5-tricyclo[6.3.0.01,5]undec-6-enyl]methanol

C15H24O — CID 163000428

IUPAC[(1S,2S,5S,8R)-2,6,8-trimethyl-5-tricyclo[6.3.0.01,5]undec-6-enyl]methanol
SMILESCC1=C[C@@]2(C)CCC[C@]23[C@@H](C)CC[C@]13CO
InChIInChI=1S/C15H24O/c1-11-5-8-14(10-16)12(2)9-13(3)6-4-7-15(11,13)14/h9,11,16H,4-8,10H2,1-3H3/t11-,13+,14-,15-/m0/s1
InChIKeyNYZXJFRRTUXEED-ATGSNQNLSA-N
MW220.36 g/mol
LogP3.53
Rot. Bonds1

About [(1S,2S,5S,8R)-2,6,8-trimethyl-5-tricyclo[6.3.0.01,5]undec-6-enyl]methanol

[(1S,2S,5S,8R)-2,6,8-trimethyl-5-tricyclo[6.3.0.01,5]undec-6-enyl]methanol (PubChem CID 163000428) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is [(1S,2S,5S,8R)-2,6,8-trimethyl-5-tricyclo[6.3.0.01,5]undec-6-enyl]methanol.

Molecular Properties

Compound Name[(1S,2S,5S,8R)-2,6,8-trimethyl-5-tricyclo[6.3.0.01,5]undec-6-enyl]methanol
PubChem CID163000428
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name[(1S,2S,5S,8R)-2,6,8-trimethyl-5-tricyclo[6.3.0.01,5]undec-6-enyl]methanol
SMILESCC1=C[C@@]2(C)CCC[C@]23[C@@H](C)CC[C@]13CO
InChIInChI=1S/C15H24O/c1-11-5-8-14(10-16)12(2)9-13(3)6-4-7-15(11,13)14/h9,11,16H,4-8,10H2,1-3H3/t11-,13+,14-,15-/m0/s1
InChIKeyNYZXJFRRTUXEED-ATGSNQNLSA-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'}

Analyze [(1S,2S,5S,8R)-2,6,8-trimethyl-5-tricyclo[6.3.0.01,5]undec-6-enyl]methanol with MolForge

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Related Compounds

(1R,2S,5R,8S)-2,5,6,8-tetramethyltricyclo[6.3.0.01,5]undec-6-ene
CID 162984216
[(1R,2R,5R,8S)-2,5,8-trimethyl-6-tricyclo[6.3.0.01,5]undec-6-enyl] trifluoromethanesulfonate
CID 10871471
[(1R,3R)-1,2,2,3-tetramethylcyclopentyl]methanol
CID 7054243
(1,2-dimethylcyclopentyl)methanol
CID 544196
[(1S,2R)-1,2-dimethylcyclopentyl]methanol
CID 167089966
(1R,4S,5R,8R)-8-(deuteriomethyl)-4,5,7-trimethyltricyclo[6.3.0.01,5]undec-6-ene
CID 11593671
[(1S,3R,4R)-1,3,4-trimethylcyclohexyl]methanol
CID 129322383
2-methyl-1-[(1-methylcyclopentyl)methyl]cyclobutan-1-ol
CID 130578288
2,3-dimethylspiro[3.3]hept-1-ene
CID 123913952
(3aS,5aS,9aR,9bS)-3a-(hydroxymethyl)-7,9b-dimethyl-2,3,5a,8,9,9a-hexahydro-1H-cyclopenta[c]chromen-4-one
CID 14705520
2-[(4aR,8aS)-3,8,8-trimethyl-1,2,5,6,7,8a-hexahydronaphthalen-4a-yl]ethanol
CID 15341881
(1S,2R,5S)-6,6,8,9-tetramethyltricyclo[3.3.3.01,5]undec-7-en-2-ol
CID 20832557

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,5S,8R)-2,6,8-trimethyl-5-tricyclo[6.3.0.01,5]undec-6-enyl]methanol?
The IUPAC name of [(1S,2S,5S,8R)-2,6,8-trimethyl-5-tricyclo[6.3.0.01,5]undec-6-enyl]methanol (CID 163000428) is [(1S,2S,5S,8R)-2,6,8-trimethyl-5-tricyclo[6.3.0.01,5]undec-6-enyl]methanol.
What is the SMILES notation for [(1S,2S,5S,8R)-2,6,8-trimethyl-5-tricyclo[6.3.0.01,5]undec-6-enyl]methanol?
The canonical SMILES for [(1S,2S,5S,8R)-2,6,8-trimethyl-5-tricyclo[6.3.0.01,5]undec-6-enyl]methanol is CC1=C[C@@]2(C)CCC[C@]23[C@@H](C)CC[C@]13CO.
What is the InChIKey of [(1S,2S,5S,8R)-2,6,8-trimethyl-5-tricyclo[6.3.0.01,5]undec-6-enyl]methanol?
The InChIKey is NYZXJFRRTUXEED-ATGSNQNLSA-N. The full InChI is InChI=1S/C15H24O/c1-11-5-8-14(10-16)12(2)9-13(3)6-4-7-15(11,13)14/h9,11,16H,4-8,10H2,1-3H3/t11-,13+,14-,15-/m0/s1.
What are the key properties of [(1S,2S,5S,8R)-2,6,8-trimethyl-5-tricyclo[6.3.0.01,5]undec-6-enyl]methanol?
[(1S,2S,5S,8R)-2,6,8-trimethyl-5-tricyclo[6.3.0.01,5]undec-6-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 [(1S,2S,5S,8R)-2,6,8-trimethyl-5-tricyclo[6.3.0.01,5]undec-6-enyl]methanol is sourced from PubChem (CID 163000428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).