(Z,4S)-4-ethenoxypent-2-ene

C7H12O — CID 134859138

IUPAC(Z,4S)-4-ethenoxypent-2-ene
SMILESC=CO[C@@H](C)/C=C\C
InChIInChI=1S/C7H12O/c1-4-6-7(3)8-5-2/h4-7H,2H2,1,3H3/b6-4-/t7-/m0/s1
InChIKeyPJJJSPBDXSGONK-NGAMADIESA-N
MW112.17 g/mol
LogP2.11
Rot. Bonds3

About (Z,4S)-4-ethenoxypent-2-ene

(Z,4S)-4-ethenoxypent-2-ene (PubChem CID 134859138) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (Z,4S)-4-ethenoxypent-2-ene.

Molecular Properties

Compound Name(Z,4S)-4-ethenoxypent-2-ene
PubChem CID134859138
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(Z,4S)-4-ethenoxypent-2-ene
SMILESC=CO[C@@H](C)/C=C\C
InChIInChI=1S/C7H12O/c1-4-6-7(3)8-5-2/h4-7H,2H2,1,3H3/b6-4-/t7-/m0/s1
InChIKeyPJJJSPBDXSGONK-NGAMADIESA-N
XLogP2.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-ethenoxyhept-3-ene
CID 102248112
(3Z)-5-[(E)-prop-1-enoxy]hexa-1,3-diene
CID 118181315
(3S,4E)-3-methylhexa-1,4-diene
CID 173019569
ethane;1-ethenoxyethanol
CID 143819454
3-ethenoxypenta-1,4-diene
CID 14223809
(E)-4-(2-chloroethoxy)pent-2-ene
CID 55300958
2-ethenoxybutane
CID 13172912
1-ethenoxy-2-methylpropan-1-amine
CID 154106005
4-methylpent-2-ene
CID 12659
1-chloro-2-ethenoxypropane
CID 139939057
1-(1-ethenoxyethoxy)-1-methoxyethane
CID 87088455
(5Z)-3-fluoro-4-methylhepta-1,5-diene
CID 143849032

Frequently Asked Questions

What is the IUPAC name of (Z,4S)-4-ethenoxypent-2-ene?
The IUPAC name of (Z,4S)-4-ethenoxypent-2-ene (CID 134859138) is (Z,4S)-4-ethenoxypent-2-ene.
What is the SMILES notation for (Z,4S)-4-ethenoxypent-2-ene?
The canonical SMILES for (Z,4S)-4-ethenoxypent-2-ene is C=CO[C@@H](C)/C=C\C.
What is the InChIKey of (Z,4S)-4-ethenoxypent-2-ene?
The InChIKey is PJJJSPBDXSGONK-NGAMADIESA-N. The full InChI is InChI=1S/C7H12O/c1-4-6-7(3)8-5-2/h4-7H,2H2,1,3H3/b6-4-/t7-/m0/s1.
What are the key properties of (Z,4S)-4-ethenoxypent-2-ene?
(Z,4S)-4-ethenoxypent-2-ene has a molecular weight of 112.17 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4S)-4-ethenoxypent-2-ene is sourced from PubChem (CID 134859138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).