(1S,2S,3R,6R,8R,10S)-2-methoxytetracyclo[6.3.0.01,3.02,6]undec-4-en-10-ol

C12H16O2 — CID 10655383

IUPAC(1S,2S,3R,6R,8R,10S)-2-methoxytetracyclo[6.3.0.01,3.02,6]undec-4-en-10-ol
SMILESCO[C@]12[C@@H]3C=C[C@H]1C[C@@H]1C[C@H](O)C[C@]132
InChIInChI=1S/C12H16O2/c1-14-12-7-2-3-10(12)11(12)6-9(13)5-8(11)4-7/h2-3,7-10,13H,4-6H2,1H3/t7-,8+,9-,10+,11-,12-/m0/s1
InChIKeyGHVSBDCYZGTSPI-IWTNGPMKSA-N
MW192.26 g/mol
LogP1.35
Rot. Bonds1

About (1S,2S,3R,6R,8R,10S)-2-methoxytetracyclo[6.3.0.01,3.02,6]undec-4-en-10-ol

(1S,2S,3R,6R,8R,10S)-2-methoxytetracyclo[6.3.0.01,3.02,6]undec-4-en-10-ol (PubChem CID 10655383) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (1S,2S,3R,6R,8R,10S)-2-methoxytetracyclo[6.3.0.01,3.02,6]undec-4-en-10-ol.

Molecular Properties

Compound Name(1S,2S,3R,6R,8R,10S)-2-methoxytetracyclo[6.3.0.01,3.02,6]undec-4-en-10-ol
PubChem CID10655383
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(1S,2S,3R,6R,8R,10S)-2-methoxytetracyclo[6.3.0.01,3.02,6]undec-4-en-10-ol
SMILESCO[C@]12[C@@H]3C=C[C@H]1C[C@@H]1C[C@H](O)C[C@]132
InChIInChI=1S/C12H16O2/c1-14-12-7-2-3-10(12)11(12)6-9(13)5-8(11)4-7/h2-3,7-10,13H,4-6H2,1H3/t7-,8+,9-,10+,11-,12-/m0/s1
InChIKeyGHVSBDCYZGTSPI-IWTNGPMKSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,2S,3R,6R,8R,10S)-2-methoxytetracyclo[6.3.0.01,3.02,6]undec-4-en-10-ol?
The IUPAC name of (1S,2S,3R,6R,8R,10S)-2-methoxytetracyclo[6.3.0.01,3.02,6]undec-4-en-10-ol (CID 10655383) is (1S,2S,3R,6R,8R,10S)-2-methoxytetracyclo[6.3.0.01,3.02,6]undec-4-en-10-ol.
What is the SMILES notation for (1S,2S,3R,6R,8R,10S)-2-methoxytetracyclo[6.3.0.01,3.02,6]undec-4-en-10-ol?
The canonical SMILES for (1S,2S,3R,6R,8R,10S)-2-methoxytetracyclo[6.3.0.01,3.02,6]undec-4-en-10-ol is CO[C@]12[C@@H]3C=C[C@H]1C[C@@H]1C[C@H](O)C[C@]132.
What is the InChIKey of (1S,2S,3R,6R,8R,10S)-2-methoxytetracyclo[6.3.0.01,3.02,6]undec-4-en-10-ol?
The InChIKey is GHVSBDCYZGTSPI-IWTNGPMKSA-N. The full InChI is InChI=1S/C12H16O2/c1-14-12-7-2-3-10(12)11(12)6-9(13)5-8(11)4-7/h2-3,7-10,13H,4-6H2,1H3/t7-,8+,9-,10+,11-,12-/m0/s1.
What are the key properties of (1S,2S,3R,6R,8R,10S)-2-methoxytetracyclo[6.3.0.01,3.02,6]undec-4-en-10-ol?
(1S,2S,3R,6R,8R,10S)-2-methoxytetracyclo[6.3.0.01,3.02,6]undec-4-en-10-ol has a molecular weight of 192.26 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,6R,8R,10S)-2-methoxytetracyclo[6.3.0.01,3.02,6]undec-4-en-10-ol is sourced from PubChem (CID 10655383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).