(1S,2R,4R,5S)-1,2,4,8-tetramethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol

C16H26O — CID 89211252

IUPAC(1S,2R,4R,5S)-1,2,4,8-tetramethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol
SMILESC=C(C)[C@@]12CC=C(C)[C@](C)(C1)[C@](C)(O)C[C@H]2C
InChIInChI=1S/C16H26O/c1-11(2)16-8-7-12(3)14(5,10-16)15(6,17)9-13(16)4/h7,13,17H,1,8-10H2,2-6H3/t13-,14+,15-,16-/m1/s1
InChIKeyBJELMKGVAIKQNR-QKPAOTATSA-N
MW234.38 g/mol
LogP4.09
Rot. Bonds1

About (1S,2R,4R,5S)-1,2,4,8-tetramethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol

(1S,2R,4R,5S)-1,2,4,8-tetramethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol (PubChem CID 89211252) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is (1S,2R,4R,5S)-1,2,4,8-tetramethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol.

Molecular Properties

Compound Name(1S,2R,4R,5S)-1,2,4,8-tetramethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol
PubChem CID89211252
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name(1S,2R,4R,5S)-1,2,4,8-tetramethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol
SMILESC=C(C)[C@@]12CC=C(C)[C@](C)(C1)[C@](C)(O)C[C@H]2C
InChIInChI=1S/C16H26O/c1-11(2)16-8-7-12(3)14(5,10-16)15(6,17)9-13(16)4/h7,13,17H,1,8-10H2,2-6H3/t13-,14+,15-,16-/m1/s1
InChIKeyBJELMKGVAIKQNR-QKPAOTATSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.09
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 (1S,2R,4R,5S)-1,2,4,8-tetramethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol?
The IUPAC name of (1S,2R,4R,5S)-1,2,4,8-tetramethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol (CID 89211252) is (1S,2R,4R,5S)-1,2,4,8-tetramethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol.
What is the SMILES notation for (1S,2R,4R,5S)-1,2,4,8-tetramethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol?
The canonical SMILES for (1S,2R,4R,5S)-1,2,4,8-tetramethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol is C=C(C)[C@@]12CC=C(C)[C@](C)(C1)[C@](C)(O)C[C@H]2C.
What is the InChIKey of (1S,2R,4R,5S)-1,2,4,8-tetramethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol?
The InChIKey is BJELMKGVAIKQNR-QKPAOTATSA-N. The full InChI is InChI=1S/C16H26O/c1-11(2)16-8-7-12(3)14(5,10-16)15(6,17)9-13(16)4/h7,13,17H,1,8-10H2,2-6H3/t13-,14+,15-,16-/m1/s1.
What are the key properties of (1S,2R,4R,5S)-1,2,4,8-tetramethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol?
(1S,2R,4R,5S)-1,2,4,8-tetramethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol has a molecular weight of 234.38 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R,5S)-1,2,4,8-tetramethyl-5-prop-1-en-2-ylbicyclo[3.3.1]non-7-en-2-ol is sourced from PubChem (CID 89211252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).