(2R,4S,7R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-4-ol

C15H24O — CID 5315464

IUPAC(2R,4S,7R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-4-ol
SMILESCC1=CCC23C[C@H]1C(C)(C)C2[C@@H](O)C[C@H]3C
InChIInChI=1S/C15H24O/c1-9-5-6-15-8-11(9)14(3,4)13(15)12(16)7-10(15)2/h5,10-13,16H,6-8H2,1-4H3/t10-,11-,12+,13?,15?/m1/s1
InChIKeyOBSHMGYCMVPNRU-BIEYCCQWSA-N
MW220.36 g/mol
LogP3.39
Rot. Bonds

About (2R,4S,7R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-4-ol

(2R,4S,7R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-4-ol (PubChem CID 5315464) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (2R,4S,7R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-4-ol.

Molecular Properties

Compound Name(2R,4S,7R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-4-ol
PubChem CID5315464
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(2R,4S,7R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-4-ol
SMILESCC1=CCC23C[C@H]1C(C)(C)C2[C@@H](O)C[C@H]3C
InChIInChI=1S/C15H24O/c1-9-5-6-15-8-11(9)14(3,4)13(15)12(16)7-10(15)2/h5,10-13,16H,6-8H2,1-4H3/t10-,11-,12+,13?,15?/m1/s1
InChIKeyOBSHMGYCMVPNRU-BIEYCCQWSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
CID 150596922
(1S,2S,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
CID 1201552
propan-2-one;2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
CID 67218541
(1R,2R,7S)-6,6,8-trimethyltricyclo[5.3.1.01,5]undec-8-ene-2-carbaldehyde
CID 91747904
(1S,2R,5S,6S,7S)-2,6,8-trimethyltricyclo[5.3.1.01,5]undec-8-ene-6-carbaldehyde
CID 162906642
(1R,5S,6S)-1,4-dimethylbicyclo[3.2.0]hept-3-en-6-ol
CID 10953589
(1R,6S)-1,4-dimethylbicyclo[3.2.0]hept-3-en-6-ol
CID 130891185
(3S,3aR,8aR)-3,5,5,8-tetramethyl-1,2,3,4,6,8a-hexahydroazulen-3a-ol
CID 11052868
(1R,2S,4R,5S)-2,4,8-trimethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol
CID 91228536
1,2,6,8-tetramethyltricyclo[5.3.1.02,6]undec-8-ene
CID 524193
(1R,2R,6S)-1,2,6,8-tetramethyltricyclo[5.3.1.02,6]undec-8-ene
CID 6427471
5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid
CID 14059050

Frequently Asked Questions

What is the IUPAC name of (2R,4S,7R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-4-ol?
The IUPAC name of (2R,4S,7R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-4-ol (CID 5315464) is (2R,4S,7R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-4-ol.
What is the SMILES notation for (2R,4S,7R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-4-ol?
The canonical SMILES for (2R,4S,7R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-4-ol is CC1=CCC23C[C@H]1C(C)(C)C2[C@@H](O)C[C@H]3C.
What is the InChIKey of (2R,4S,7R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-4-ol?
The InChIKey is OBSHMGYCMVPNRU-BIEYCCQWSA-N. The full InChI is InChI=1S/C15H24O/c1-9-5-6-15-8-11(9)14(3,4)13(15)12(16)7-10(15)2/h5,10-13,16H,6-8H2,1-4H3/t10-,11-,12+,13?,15?/m1/s1.
What are the key properties of (2R,4S,7R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-4-ol?
(2R,4S,7R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-4-ol has a molecular weight of 220.36 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,7R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-en-4-ol is sourced from PubChem (CID 5315464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).