(1R,6S,9S)-1-methylbicyclo[4.2.1]non-7-en-9-ol

C10H16O — CID 130927406

IUPAC(1R,6S,9S)-1-methylbicyclo[4.2.1]non-7-en-9-ol
SMILESC[C@]12C=C[C@H](CCCC1)[C@@H]2O
InChIInChI=1S/C10H16O/c1-10-6-3-2-4-8(5-7-10)9(10)11/h5,7-9,11H,2-4,6H2,1H3/t8-,9-,10+/m0/s1
InChIKeyHNVGMWLLPPLEFX-LPEHRKFASA-N
MW152.24 g/mol
LogP2.11
Rot. Bonds

About (1R,6S,9S)-1-methylbicyclo[4.2.1]non-7-en-9-ol

(1R,6S,9S)-1-methylbicyclo[4.2.1]non-7-en-9-ol (PubChem CID 130927406) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1R,6S,9S)-1-methylbicyclo[4.2.1]non-7-en-9-ol.

Molecular Properties

Compound Name(1R,6S,9S)-1-methylbicyclo[4.2.1]non-7-en-9-ol
PubChem CID130927406
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1R,6S,9S)-1-methylbicyclo[4.2.1]non-7-en-9-ol
SMILESC[C@]12C=C[C@H](CCCC1)[C@@H]2O
InChIInChI=1S/C10H16O/c1-10-6-3-2-4-8(5-7-10)9(10)11/h5,7-9,11H,2-4,6H2,1H3/t8-,9-,10+/m0/s1
InChIKeyHNVGMWLLPPLEFX-LPEHRKFASA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.11
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

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Frequently Asked Questions

What is the IUPAC name of (1R,6S,9S)-1-methylbicyclo[4.2.1]non-7-en-9-ol?
The IUPAC name of (1R,6S,9S)-1-methylbicyclo[4.2.1]non-7-en-9-ol (CID 130927406) is (1R,6S,9S)-1-methylbicyclo[4.2.1]non-7-en-9-ol.
What is the SMILES notation for (1R,6S,9S)-1-methylbicyclo[4.2.1]non-7-en-9-ol?
The canonical SMILES for (1R,6S,9S)-1-methylbicyclo[4.2.1]non-7-en-9-ol is C[C@]12C=C[C@H](CCCC1)[C@@H]2O.
What is the InChIKey of (1R,6S,9S)-1-methylbicyclo[4.2.1]non-7-en-9-ol?
The InChIKey is HNVGMWLLPPLEFX-LPEHRKFASA-N. The full InChI is InChI=1S/C10H16O/c1-10-6-3-2-4-8(5-7-10)9(10)11/h5,7-9,11H,2-4,6H2,1H3/t8-,9-,10+/m0/s1.
What are the key properties of (1R,6S,9S)-1-methylbicyclo[4.2.1]non-7-en-9-ol?
(1R,6S,9S)-1-methylbicyclo[4.2.1]non-7-en-9-ol has a molecular weight of 152.24 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,9S)-1-methylbicyclo[4.2.1]non-7-en-9-ol is sourced from PubChem (CID 130927406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).