(2R,3S)-3-methyl-4-[(1S,2S,6S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enylidene]butan-2-ol

C15H22O — CID 91481577

IUPAC(2R,3S)-3-methyl-4-[(1S,2S,6S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enylidene]butan-2-ol
SMILESC[C@@H](O)[C@@H](C)C=C1C[C@@H]2C[C@H]1[C@H]1C=CC[C@@H]21
InChIInChI=1S/C15H22O/c1-9(10(2)16)6-11-7-12-8-15(11)14-5-3-4-13(12)14/h3,5-6,9-10,12-16H,4,7-8H2,1-2H3/t9-,10+,12+,13-,14-,15+/m0/s1
InChIKeyCFYWBOZLQRYGSN-RKKRGXIDSA-N
MW218.34 g/mol
LogP3.16
Rot. Bonds2

About (2R,3S)-3-methyl-4-[(1S,2S,6S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enylidene]butan-2-ol

(2R,3S)-3-methyl-4-[(1S,2S,6S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enylidene]butan-2-ol (PubChem CID 91481577) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (2R,3S)-3-methyl-4-[(1S,2S,6S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enylidene]butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-methyl-4-[(1S,2S,6S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enylidene]butan-2-ol
PubChem CID91481577
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(2R,3S)-3-methyl-4-[(1S,2S,6S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enylidene]butan-2-ol
SMILESC[C@@H](O)[C@@H](C)C=C1C[C@@H]2C[C@H]1[C@H]1C=CC[C@@H]21
InChIInChI=1S/C15H22O/c1-9(10(2)16)6-11-7-12-8-15(11)14-5-3-4-13(12)14/h3,5-6,9-10,12-16H,4,7-8H2,1-2H3/t9-,10+,12+,13-,14-,15+/m0/s1
InChIKeyCFYWBOZLQRYGSN-RKKRGXIDSA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.16
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 (2R,3S)-3-methyl-4-[(1S,2S,6S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enylidene]butan-2-ol?
The IUPAC name of (2R,3S)-3-methyl-4-[(1S,2S,6S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enylidene]butan-2-ol (CID 91481577) is (2R,3S)-3-methyl-4-[(1S,2S,6S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enylidene]butan-2-ol.
What is the SMILES notation for (2R,3S)-3-methyl-4-[(1S,2S,6S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enylidene]butan-2-ol?
The canonical SMILES for (2R,3S)-3-methyl-4-[(1S,2S,6S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enylidene]butan-2-ol is C[C@@H](O)[C@@H](C)C=C1C[C@@H]2C[C@H]1[C@H]1C=CC[C@@H]21.
What is the InChIKey of (2R,3S)-3-methyl-4-[(1S,2S,6S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enylidene]butan-2-ol?
The InChIKey is CFYWBOZLQRYGSN-RKKRGXIDSA-N. The full InChI is InChI=1S/C15H22O/c1-9(10(2)16)6-11-7-12-8-15(11)14-5-3-4-13(12)14/h3,5-6,9-10,12-16H,4,7-8H2,1-2H3/t9-,10+,12+,13-,14-,15+/m0/s1.
What are the key properties of (2R,3S)-3-methyl-4-[(1S,2S,6S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enylidene]butan-2-ol?
(2R,3S)-3-methyl-4-[(1S,2S,6S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enylidene]butan-2-ol has a molecular weight of 218.34 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methyl-4-[(1S,2S,6S,7S)-8-tricyclo[5.2.1.02,6]dec-4-enylidene]butan-2-ol is sourced from PubChem (CID 91481577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).