(3S,4S)-4-prop-2-enoxypent-1-en-3-ol

C8H14O2 — CID 11171035

IUPAC(3S,4S)-4-prop-2-enoxypent-1-en-3-ol
SMILESC=CCO[C@@H](C)[C@@H](O)C=C
InChIInChI=1S/C8H14O2/c1-4-6-10-7(3)8(9)5-2/h4-5,7-9H,1-2,6H2,3H3/t7-,8-/m0/s1
InChIKeyBHMWKUVAUPAHII-YUMQZZPRSA-N
MW142.20 g/mol
LogP1.12
Rot. Bonds5

About (3S,4S)-4-prop-2-enoxypent-1-en-3-ol

(3S,4S)-4-prop-2-enoxypent-1-en-3-ol (PubChem CID 11171035) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (3S,4S)-4-prop-2-enoxypent-1-en-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-prop-2-enoxypent-1-en-3-ol
PubChem CID11171035
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(3S,4S)-4-prop-2-enoxypent-1-en-3-ol
SMILESC=CCO[C@@H](C)[C@@H](O)C=C
InChIInChI=1S/C8H14O2/c1-4-6-10-7(3)8(9)5-2/h4-5,7-9H,1-2,6H2,3H3/t7-,8-/m0/s1
InChIKeyBHMWKUVAUPAHII-YUMQZZPRSA-N
XLogP1.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3S,4S)-4-prop-2-enoxypent-1-en-3-ol?
The IUPAC name of (3S,4S)-4-prop-2-enoxypent-1-en-3-ol (CID 11171035) is (3S,4S)-4-prop-2-enoxypent-1-en-3-ol.
What is the SMILES notation for (3S,4S)-4-prop-2-enoxypent-1-en-3-ol?
The canonical SMILES for (3S,4S)-4-prop-2-enoxypent-1-en-3-ol is C=CCO[C@@H](C)[C@@H](O)C=C.
What is the InChIKey of (3S,4S)-4-prop-2-enoxypent-1-en-3-ol?
The InChIKey is BHMWKUVAUPAHII-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-6-10-7(3)8(9)5-2/h4-5,7-9H,1-2,6H2,3H3/t7-,8-/m0/s1.
What are the key properties of (3S,4S)-4-prop-2-enoxypent-1-en-3-ol?
(3S,4S)-4-prop-2-enoxypent-1-en-3-ol has a molecular weight of 142.20 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-prop-2-enoxypent-1-en-3-ol is sourced from PubChem (CID 11171035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).