(2R,3S)-3-penta-1,4-dien-3-yloxy-2-prop-2-enyloxane

C13H20O2 — CID 132969009

IUPAC(2R,3S)-3-penta-1,4-dien-3-yloxy-2-prop-2-enyloxane
SMILESC=CC[C@H]1OCCC[C@@H]1OC(C=C)C=C
InChIInChI=1S/C13H20O2/c1-4-8-12-13(9-7-10-14-12)15-11(5-2)6-3/h4-6,11-13H,1-3,7-10H2/t12-,13+/m1/s1
InChIKeyNMWUWDDTRWCCTN-OLZOCXBDSA-N
MW208.30 g/mol
LogP2.87
Rot. Bonds6

About (2R,3S)-3-penta-1,4-dien-3-yloxy-2-prop-2-enyloxane

(2R,3S)-3-penta-1,4-dien-3-yloxy-2-prop-2-enyloxane (PubChem CID 132969009) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (2R,3S)-3-penta-1,4-dien-3-yloxy-2-prop-2-enyloxane.

Molecular Properties

Compound Name(2R,3S)-3-penta-1,4-dien-3-yloxy-2-prop-2-enyloxane
PubChem CID132969009
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(2R,3S)-3-penta-1,4-dien-3-yloxy-2-prop-2-enyloxane
SMILESC=CC[C@H]1OCCC[C@@H]1OC(C=C)C=C
InChIInChI=1S/C13H20O2/c1-4-8-12-13(9-7-10-14-12)15-11(5-2)6-3/h4-6,11-13H,1-3,7-10H2/t12-,13+/m1/s1
InChIKeyNMWUWDDTRWCCTN-OLZOCXBDSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,3S)-3-penta-1,4-dien-3-yloxy-2-prop-2-enyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-3-pent-4-enoxy-2-prop-2-enyloxane
CID 10608531
(2-prop-2-enyloxan-3-yl) butanoate
CID 15372487
(2S,3R)-2-prop-2-enyloxan-3-ol
CID 14917728
[(2R,3S)-3-but-3-enoxyoxan-2-yl]methanol
CID 10773900
3-chloro-2-prop-2-enyloxolane
CID 13494562
(2R,4R)-4-[(2S,3R)-2-ethenyloxan-3-yl]oxypentan-2-ol
CID 10867649
(2S,3R)-3-ethenoxy-2-(2-methylprop-2-enyl)oxane
CID 102446457
3-tert-butyl-2-prop-2-enyloxolane
CID 15502844
2-[2-[1-(oxolan-2-yl)but-3-en-2-yloxy]but-3-enyl]oxolane
CID 70269130
(3-prop-2-enoyloxyoxan-2-yl)methyl prop-2-enoate
CID 137428547
ethyl 2-[(4-methylphenyl)sulfonylamino]-2-[(3S)-2-prop-2-enyloxan-3-yl]acetate
CID 90147964
(1S,3R,4R,5R)-4-ethenyl-5-(oxolan-2-ylmethyl)cyclopentane-1,3-diol
CID 167554569

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-penta-1,4-dien-3-yloxy-2-prop-2-enyloxane?
The IUPAC name of (2R,3S)-3-penta-1,4-dien-3-yloxy-2-prop-2-enyloxane (CID 132969009) is (2R,3S)-3-penta-1,4-dien-3-yloxy-2-prop-2-enyloxane.
What is the SMILES notation for (2R,3S)-3-penta-1,4-dien-3-yloxy-2-prop-2-enyloxane?
The canonical SMILES for (2R,3S)-3-penta-1,4-dien-3-yloxy-2-prop-2-enyloxane is C=CC[C@H]1OCCC[C@@H]1OC(C=C)C=C.
What is the InChIKey of (2R,3S)-3-penta-1,4-dien-3-yloxy-2-prop-2-enyloxane?
The InChIKey is NMWUWDDTRWCCTN-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-8-12-13(9-7-10-14-12)15-11(5-2)6-3/h4-6,11-13H,1-3,7-10H2/t12-,13+/m1/s1.
What are the key properties of (2R,3S)-3-penta-1,4-dien-3-yloxy-2-prop-2-enyloxane?
(2R,3S)-3-penta-1,4-dien-3-yloxy-2-prop-2-enyloxane has a molecular weight of 208.30 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-penta-1,4-dien-3-yloxy-2-prop-2-enyloxane is sourced from PubChem (CID 132969009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).