(2R,3S)-2-but-3-enyl-3-pent-4-enoxyoxane

C14H24O2 — CID 10680678

IUPAC(2R,3S)-2-but-3-enyl-3-pent-4-enoxyoxane
SMILESC=CCCCO[C@H]1CCCO[C@@H]1CCC=C
InChIInChI=1S/C14H24O2/c1-3-5-7-11-15-14-10-8-12-16-13(14)9-6-4-2/h3-4,13-14H,1-2,5-12H2/t13-,14+/m1/s1
InChIKeyPOJWDXZRLQRCBK-KGLIPLIRSA-N
MW224.34 g/mol
LogP3.48
Rot. Bonds8

About (2R,3S)-2-but-3-enyl-3-pent-4-enoxyoxane

(2R,3S)-2-but-3-enyl-3-pent-4-enoxyoxane (PubChem CID 10680678) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (2R,3S)-2-but-3-enyl-3-pent-4-enoxyoxane.

Molecular Properties

Compound Name(2R,3S)-2-but-3-enyl-3-pent-4-enoxyoxane
PubChem CID10680678
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(2R,3S)-2-but-3-enyl-3-pent-4-enoxyoxane
SMILESC=CCCCO[C@H]1CCCO[C@@H]1CCC=C
InChIInChI=1S/C14H24O2/c1-3-5-7-11-15-14-10-8-12-16-13(14)9-6-4-2/h3-4,13-14H,1-2,5-12H2/t13-,14+/m1/s1
InChIKeyPOJWDXZRLQRCBK-KGLIPLIRSA-N
XLogP3.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(4aR,8aR)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran
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(2S,3R)-2-but-3-enyl-3-prop-2-enoxyoxane
CID 102446889
(2S,3R)-2-but-3-enyl-3-(2-methylprop-2-enoxy)oxane
CID 102446890
(2R,3R,4aR,8aR)-3-but-3-enoxy-2-prop-2-enyl-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-but-3-enyl-3-pent-4-enoxyoxane?
The IUPAC name of (2R,3S)-2-but-3-enyl-3-pent-4-enoxyoxane (CID 10680678) is (2R,3S)-2-but-3-enyl-3-pent-4-enoxyoxane.
What is the SMILES notation for (2R,3S)-2-but-3-enyl-3-pent-4-enoxyoxane?
The canonical SMILES for (2R,3S)-2-but-3-enyl-3-pent-4-enoxyoxane is C=CCCCO[C@H]1CCCO[C@@H]1CCC=C.
What is the InChIKey of (2R,3S)-2-but-3-enyl-3-pent-4-enoxyoxane?
The InChIKey is POJWDXZRLQRCBK-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-5-7-11-15-14-10-8-12-16-13(14)9-6-4-2/h3-4,13-14H,1-2,5-12H2/t13-,14+/m1/s1.
What are the key properties of (2R,3S)-2-but-3-enyl-3-pent-4-enoxyoxane?
(2R,3S)-2-but-3-enyl-3-pent-4-enoxyoxane has a molecular weight of 224.34 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-but-3-enyl-3-pent-4-enoxyoxane is sourced from PubChem (CID 10680678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).