[(1R,2S,3S)-2-ethenyl-3-propylcyclopropyl]methanol

C9H16O — CID 102418566

IUPAC[(1R,2S,3S)-2-ethenyl-3-propylcyclopropyl]methanol
SMILESC=C[C@@H]1[C@H](CO)[C@H]1CCC
InChIInChI=1S/C9H16O/c1-3-5-8-7(4-2)9(8)6-10/h4,7-10H,2-3,5-6H2,1H3/t7-,8-,9-/m0/s1
InChIKeyNCAZFCDADZGTJA-CIUDSAMLSA-N
MW140.23 g/mol
LogP1.83
Rot. Bonds4

About [(1R,2S,3S)-2-ethenyl-3-propylcyclopropyl]methanol

[(1R,2S,3S)-2-ethenyl-3-propylcyclopropyl]methanol (PubChem CID 102418566) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is [(1R,2S,3S)-2-ethenyl-3-propylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2S,3S)-2-ethenyl-3-propylcyclopropyl]methanol
PubChem CID102418566
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name[(1R,2S,3S)-2-ethenyl-3-propylcyclopropyl]methanol
SMILESC=C[C@@H]1[C@H](CO)[C@H]1CCC
InChIInChI=1S/C9H16O/c1-3-5-8-7(4-2)9(8)6-10/h4,7-10H,2-3,5-6H2,1H3/t7-,8-,9-/m0/s1
InChIKeyNCAZFCDADZGTJA-CIUDSAMLSA-N
XLogP1.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 [(1R,2S,3S)-2-ethenyl-3-propylcyclopropyl]methanol?
The IUPAC name of [(1R,2S,3S)-2-ethenyl-3-propylcyclopropyl]methanol (CID 102418566) is [(1R,2S,3S)-2-ethenyl-3-propylcyclopropyl]methanol.
What is the SMILES notation for [(1R,2S,3S)-2-ethenyl-3-propylcyclopropyl]methanol?
The canonical SMILES for [(1R,2S,3S)-2-ethenyl-3-propylcyclopropyl]methanol is C=C[C@@H]1[C@H](CO)[C@H]1CCC.
What is the InChIKey of [(1R,2S,3S)-2-ethenyl-3-propylcyclopropyl]methanol?
The InChIKey is NCAZFCDADZGTJA-CIUDSAMLSA-N. The full InChI is InChI=1S/C9H16O/c1-3-5-8-7(4-2)9(8)6-10/h4,7-10H,2-3,5-6H2,1H3/t7-,8-,9-/m0/s1.
What are the key properties of [(1R,2S,3S)-2-ethenyl-3-propylcyclopropyl]methanol?
[(1R,2S,3S)-2-ethenyl-3-propylcyclopropyl]methanol has a molecular weight of 140.23 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3S)-2-ethenyl-3-propylcyclopropyl]methanol is sourced from PubChem (CID 102418566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).