(Z,1S)-1-[(1R,2R)-2-prop-1-ynylcyclopent-3-en-1-yl]pent-2-en-1-ol

C13H18O — CID 54762919

IUPAC(Z,1S)-1-[(1R,2R)-2-prop-1-ynylcyclopent-3-en-1-yl]pent-2-en-1-ol
SMILESCC#C[C@@H]1C=CC[C@H]1[C@@H](O)/C=C\CC
InChIInChI=1S/C13H18O/c1-3-5-10-13(14)12-9-6-8-11(12)7-4-2/h5-6,8,10-14H,3,9H2,1-2H3/b10-5-/t11-,12-,13+/m1/s1
InChIKeyFIIZEUXGXZNTFP-DJPOXVICSA-N
MW190.29 g/mol
LogP2.53
Rot. Bonds3

About (Z,1S)-1-[(1R,2R)-2-prop-1-ynylcyclopent-3-en-1-yl]pent-2-en-1-ol

(Z,1S)-1-[(1R,2R)-2-prop-1-ynylcyclopent-3-en-1-yl]pent-2-en-1-ol (PubChem CID 54762919) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (Z,1S)-1-[(1R,2R)-2-prop-1-ynylcyclopent-3-en-1-yl]pent-2-en-1-ol.

Molecular Properties

Compound Name(Z,1S)-1-[(1R,2R)-2-prop-1-ynylcyclopent-3-en-1-yl]pent-2-en-1-ol
PubChem CID54762919
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(Z,1S)-1-[(1R,2R)-2-prop-1-ynylcyclopent-3-en-1-yl]pent-2-en-1-ol
SMILESCC#C[C@@H]1C=CC[C@H]1[C@@H](O)/C=C\CC
InChIInChI=1S/C13H18O/c1-3-5-10-13(14)12-9-6-8-11(12)7-4-2/h5-6,8,10-14H,3,9H2,1-2H3/b10-5-/t11-,12-,13+/m1/s1
InChIKeyFIIZEUXGXZNTFP-DJPOXVICSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,1S)-1-[(1R,2R)-2-prop-1-ynylcyclopent-3-en-1-yl]pent-2-en-1-ol?
The IUPAC name of (Z,1S)-1-[(1R,2R)-2-prop-1-ynylcyclopent-3-en-1-yl]pent-2-en-1-ol (CID 54762919) is (Z,1S)-1-[(1R,2R)-2-prop-1-ynylcyclopent-3-en-1-yl]pent-2-en-1-ol.
What is the SMILES notation for (Z,1S)-1-[(1R,2R)-2-prop-1-ynylcyclopent-3-en-1-yl]pent-2-en-1-ol?
The canonical SMILES for (Z,1S)-1-[(1R,2R)-2-prop-1-ynylcyclopent-3-en-1-yl]pent-2-en-1-ol is CC#C[C@@H]1C=CC[C@H]1[C@@H](O)/C=C\CC.
What is the InChIKey of (Z,1S)-1-[(1R,2R)-2-prop-1-ynylcyclopent-3-en-1-yl]pent-2-en-1-ol?
The InChIKey is FIIZEUXGXZNTFP-DJPOXVICSA-N. The full InChI is InChI=1S/C13H18O/c1-3-5-10-13(14)12-9-6-8-11(12)7-4-2/h5-6,8,10-14H,3,9H2,1-2H3/b10-5-/t11-,12-,13+/m1/s1.
What are the key properties of (Z,1S)-1-[(1R,2R)-2-prop-1-ynylcyclopent-3-en-1-yl]pent-2-en-1-ol?
(Z,1S)-1-[(1R,2R)-2-prop-1-ynylcyclopent-3-en-1-yl]pent-2-en-1-ol has a molecular weight of 190.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1S)-1-[(1R,2R)-2-prop-1-ynylcyclopent-3-en-1-yl]pent-2-en-1-ol is sourced from PubChem (CID 54762919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).