(1S)-1-[(1S,2Z)-cyclonon-2-en-1-yl]propan-1-ol

C12H22O — CID 11030459

IUPAC(1S)-1-[(1S,2Z)-cyclonon-2-en-1-yl]propan-1-ol
SMILESCC[C@H](O)[C@@H]1/C=C\CCCCCC1
InChIInChI=1S/C12H22O/c1-2-12(13)11-9-7-5-3-4-6-8-10-11/h7,9,11-13H,2-6,8,10H2,1H3/b9-7-/t11-,12+/m1/s1
InChIKeyCBBUNMKLOOAZJT-RXXFUPDVSA-N
MW182.31 g/mol
LogP3.28
Rot. Bonds2

About (1S)-1-[(1S,2Z)-cyclonon-2-en-1-yl]propan-1-ol

(1S)-1-[(1S,2Z)-cyclonon-2-en-1-yl]propan-1-ol (PubChem CID 11030459) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (1S)-1-[(1S,2Z)-cyclonon-2-en-1-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[(1S,2Z)-cyclonon-2-en-1-yl]propan-1-ol
PubChem CID11030459
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(1S)-1-[(1S,2Z)-cyclonon-2-en-1-yl]propan-1-ol
SMILESCC[C@H](O)[C@@H]1/C=C\CCCCCC1
InChIInChI=1S/C12H22O/c1-2-12(13)11-9-7-5-3-4-6-8-10-11/h7,9,11-13H,2-6,8,10H2,1H3/b9-7-/t11-,12+/m1/s1
InChIKeyCBBUNMKLOOAZJT-RXXFUPDVSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.28
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

(1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-1,2-diol
CID 10900215
[(1R)-cyclohex-2-en-1-yl]methanediol;ethane
CID 143031665
(1Z)-3-ethylcyclooctene
CID 12870206
cyclohept-2-en-1-yl-(4-methylphenyl)methanol
CID 2754969
[(2Z)-cyclooct-2-en-1-yl]-(4-iodophenyl)methanol
CID 15466422
(3R)-3-[(2R)-butan-2-yl]cyclopentene
CID 143832917
3-[(4R)-4-cyclohexylpentan-2-yl]cyclohexene
CID 142490975
(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-phenylpropan-1-ol
CID 101047388
1-cyclohex-2-en-1-ylbut-2-en-1-ol
CID 163436872
2-cyclohex-2-en-1-ylpentanoic acid
CID 12609529
(1E)-3-methylcyclodecene
CID 5352563
(1Z)-3-methylcyclooctene
CID 5352586

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1S,2Z)-cyclonon-2-en-1-yl]propan-1-ol?
The IUPAC name of (1S)-1-[(1S,2Z)-cyclonon-2-en-1-yl]propan-1-ol (CID 11030459) is (1S)-1-[(1S,2Z)-cyclonon-2-en-1-yl]propan-1-ol.
What is the SMILES notation for (1S)-1-[(1S,2Z)-cyclonon-2-en-1-yl]propan-1-ol?
The canonical SMILES for (1S)-1-[(1S,2Z)-cyclonon-2-en-1-yl]propan-1-ol is CC[C@H](O)[C@@H]1/C=C\CCCCCC1.
What is the InChIKey of (1S)-1-[(1S,2Z)-cyclonon-2-en-1-yl]propan-1-ol?
The InChIKey is CBBUNMKLOOAZJT-RXXFUPDVSA-N. The full InChI is InChI=1S/C12H22O/c1-2-12(13)11-9-7-5-3-4-6-8-10-11/h7,9,11-13H,2-6,8,10H2,1H3/b9-7-/t11-,12+/m1/s1.
What are the key properties of (1S)-1-[(1S,2Z)-cyclonon-2-en-1-yl]propan-1-ol?
(1S)-1-[(1S,2Z)-cyclonon-2-en-1-yl]propan-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1S,2Z)-cyclonon-2-en-1-yl]propan-1-ol is sourced from PubChem (CID 11030459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).