(1S,2S,5S)-1-methoxybicyclo[3.2.1]oct-3-en-2-ol

C9H14O2 — CID 134894397

IUPAC(1S,2S,5S)-1-methoxybicyclo[3.2.1]oct-3-en-2-ol
SMILESCO[C@]12CC[C@H](C=C[C@@H]1O)C2
InChIInChI=1S/C9H14O2/c1-11-9-5-4-7(6-9)2-3-8(9)10/h2-3,7-8,10H,4-6H2,1H3/t7-,8-,9-/m0/s1
InChIKeyPCCSROVXMNQGNB-CIUDSAMLSA-N
MW154.21 g/mol
LogP1.10
Rot. Bonds1

About (1S,2S,5S)-1-methoxybicyclo[3.2.1]oct-3-en-2-ol

(1S,2S,5S)-1-methoxybicyclo[3.2.1]oct-3-en-2-ol (PubChem CID 134894397) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (1S,2S,5S)-1-methoxybicyclo[3.2.1]oct-3-en-2-ol.

Molecular Properties

Compound Name(1S,2S,5S)-1-methoxybicyclo[3.2.1]oct-3-en-2-ol
PubChem CID134894397
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(1S,2S,5S)-1-methoxybicyclo[3.2.1]oct-3-en-2-ol
SMILESCO[C@]12CC[C@H](C=C[C@@H]1O)C2
InChIInChI=1S/C9H14O2/c1-11-9-5-4-7(6-9)2-3-8(9)10/h2-3,7-8,10H,4-6H2,1H3/t7-,8-,9-/m0/s1
InChIKeyPCCSROVXMNQGNB-CIUDSAMLSA-N
XLogP1.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.10
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,5S)-1-methoxybicyclo[3.2.1]oct-3-en-2-ol?
The IUPAC name of (1S,2S,5S)-1-methoxybicyclo[3.2.1]oct-3-en-2-ol (CID 134894397) is (1S,2S,5S)-1-methoxybicyclo[3.2.1]oct-3-en-2-ol.
What is the SMILES notation for (1S,2S,5S)-1-methoxybicyclo[3.2.1]oct-3-en-2-ol?
The canonical SMILES for (1S,2S,5S)-1-methoxybicyclo[3.2.1]oct-3-en-2-ol is CO[C@]12CC[C@H](C=C[C@@H]1O)C2.
What is the InChIKey of (1S,2S,5S)-1-methoxybicyclo[3.2.1]oct-3-en-2-ol?
The InChIKey is PCCSROVXMNQGNB-CIUDSAMLSA-N. The full InChI is InChI=1S/C9H14O2/c1-11-9-5-4-7(6-9)2-3-8(9)10/h2-3,7-8,10H,4-6H2,1H3/t7-,8-,9-/m0/s1.
What are the key properties of (1S,2S,5S)-1-methoxybicyclo[3.2.1]oct-3-en-2-ol?
(1S,2S,5S)-1-methoxybicyclo[3.2.1]oct-3-en-2-ol has a molecular weight of 154.21 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5S)-1-methoxybicyclo[3.2.1]oct-3-en-2-ol is sourced from PubChem (CID 134894397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).