(Z)-2-ethoxy-1-(1-methylcyclopropyl)but-2-en-1-ol

C10H18O2 — CID 143076803

IUPAC(Z)-2-ethoxy-1-(1-methylcyclopropyl)but-2-en-1-ol
SMILESC/C=C(\OCC)C(O)C1(C)CC1
InChIInChI=1S/C10H18O2/c1-4-8(12-5-2)9(11)10(3)6-7-10/h4,9,11H,5-7H2,1-3H3/b8-4-
InChIKeyQMTKQHCNAYWOKR-YWEYNIOJSA-N
MW170.25 g/mol
LogP2.09
Rot. Bonds4

About (Z)-2-ethoxy-1-(1-methylcyclopropyl)but-2-en-1-ol

(Z)-2-ethoxy-1-(1-methylcyclopropyl)but-2-en-1-ol (PubChem CID 143076803) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (Z)-2-ethoxy-1-(1-methylcyclopropyl)but-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-ethoxy-1-(1-methylcyclopropyl)but-2-en-1-ol
PubChem CID143076803
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(Z)-2-ethoxy-1-(1-methylcyclopropyl)but-2-en-1-ol
SMILESC/C=C(\OCC)C(O)C1(C)CC1
InChIInChI=1S/C10H18O2/c1-4-8(12-5-2)9(11)10(3)6-7-10/h4,9,11H,5-7H2,1-3H3/b8-4-
InChIKeyQMTKQHCNAYWOKR-YWEYNIOJSA-N
XLogP2.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethoxy-1-(1-methylcyclopropyl)but-2-en-1-ol?
The IUPAC name of (Z)-2-ethoxy-1-(1-methylcyclopropyl)but-2-en-1-ol (CID 143076803) is (Z)-2-ethoxy-1-(1-methylcyclopropyl)but-2-en-1-ol.
What is the SMILES notation for (Z)-2-ethoxy-1-(1-methylcyclopropyl)but-2-en-1-ol?
The canonical SMILES for (Z)-2-ethoxy-1-(1-methylcyclopropyl)but-2-en-1-ol is C/C=C(\OCC)C(O)C1(C)CC1.
What is the InChIKey of (Z)-2-ethoxy-1-(1-methylcyclopropyl)but-2-en-1-ol?
The InChIKey is QMTKQHCNAYWOKR-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-8(12-5-2)9(11)10(3)6-7-10/h4,9,11H,5-7H2,1-3H3/b8-4-.
What are the key properties of (Z)-2-ethoxy-1-(1-methylcyclopropyl)but-2-en-1-ol?
(Z)-2-ethoxy-1-(1-methylcyclopropyl)but-2-en-1-ol has a molecular weight of 170.25 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethoxy-1-(1-methylcyclopropyl)but-2-en-1-ol is sourced from PubChem (CID 143076803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).