cis-(1S,2S)-2-non-8-enyl-1-propan-2-ylcyclopropan-1-ol

C15H28O — CID 102123336

IUPACcis-(1S,2S)-2-non-8-enyl-1-propan-2-ylcyclopropan-1-ol
SMILESC=CCCCCCCC[C@H]1C[C@]1(O)C(C)C
InChIInChI=1S/C15H28O/c1-4-5-6-7-8-9-10-11-14-12-15(14,16)13(2)3/h4,13-14,16H,1,5-12H2,2-3H3/t14-,15-/m0/s1
InChIKeyJWJWNNLUOZWFPU-GJZGRUSLSA-N
MW224.39 g/mol
LogP4.31
Rot. Bonds9

About cis-(1S,2S)-2-non-8-enyl-1-propan-2-ylcyclopropan-1-ol

cis-(1S,2S)-2-non-8-enyl-1-propan-2-ylcyclopropan-1-ol (PubChem CID 102123336) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is cis-(1S,2S)-2-non-8-enyl-1-propan-2-ylcyclopropan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-2-non-8-enyl-1-propan-2-ylcyclopropan-1-ol
PubChem CID102123336
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Namecis-(1S,2S)-2-non-8-enyl-1-propan-2-ylcyclopropan-1-ol
SMILESC=CCCCCCCC[C@H]1C[C@]1(O)C(C)C
InChIInChI=1S/C15H28O/c1-4-5-6-7-8-9-10-11-14-12-15(14,16)13(2)3/h4,13-14,16H,1,5-12H2,2-3H3/t14-,15-/m0/s1
InChIKeyJWJWNNLUOZWFPU-GJZGRUSLSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-non-8-enyl-1-propan-2-ylcyclopropan-1-ol?
The IUPAC name of cis-(1S,2S)-2-non-8-enyl-1-propan-2-ylcyclopropan-1-ol (CID 102123336) is cis-(1S,2S)-2-non-8-enyl-1-propan-2-ylcyclopropan-1-ol.
What is the SMILES notation for cis-(1S,2S)-2-non-8-enyl-1-propan-2-ylcyclopropan-1-ol?
The canonical SMILES for cis-(1S,2S)-2-non-8-enyl-1-propan-2-ylcyclopropan-1-ol is C=CCCCCCCC[C@H]1C[C@]1(O)C(C)C.
What is the InChIKey of cis-(1S,2S)-2-non-8-enyl-1-propan-2-ylcyclopropan-1-ol?
The InChIKey is JWJWNNLUOZWFPU-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H28O/c1-4-5-6-7-8-9-10-11-14-12-15(14,16)13(2)3/h4,13-14,16H,1,5-12H2,2-3H3/t14-,15-/m0/s1.
What are the key properties of cis-(1S,2S)-2-non-8-enyl-1-propan-2-ylcyclopropan-1-ol?
cis-(1S,2S)-2-non-8-enyl-1-propan-2-ylcyclopropan-1-ol has a molecular weight of 224.39 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-non-8-enyl-1-propan-2-ylcyclopropan-1-ol is sourced from PubChem (CID 102123336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).