(3R,4S)-4-prop-2-enoxy-3-[(4S)-4-prop-2-enoxyhepta-1,6-dien-3-yl]oxyhepta-1,6-diene

C20H30O3 — CID 134882653

IUPAC(3R,4S)-4-prop-2-enoxy-3-[(4S)-4-prop-2-enoxyhepta-1,6-dien-3-yl]oxyhepta-1,6-diene
SMILESC=CCO[C@@H](CC=C)C(C=C)O[C@H](C=C)[C@H](CC=C)OCC=C
InChIInChI=1S/C20H30O3/c1-7-13-19(21-15-9-3)17(11-5)23-18(12-6)20(14-8-2)22-16-10-4/h7-12,17-20H,1-6,13-16H2/t17-,18?,19+,20+/m1/s1
InChIKeyIEHSHMYCDUJLPP-OFURLBHNSA-N
MW318.46 g/mol
LogP4.41
Rot. Bonds16

About (3R,4S)-4-prop-2-enoxy-3-[(4S)-4-prop-2-enoxyhepta-1,6-dien-3-yl]oxyhepta-1,6-diene

(3R,4S)-4-prop-2-enoxy-3-[(4S)-4-prop-2-enoxyhepta-1,6-dien-3-yl]oxyhepta-1,6-diene (PubChem CID 134882653) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is (3R,4S)-4-prop-2-enoxy-3-[(4S)-4-prop-2-enoxyhepta-1,6-dien-3-yl]oxyhepta-1,6-diene.

Molecular Properties

Compound Name(3R,4S)-4-prop-2-enoxy-3-[(4S)-4-prop-2-enoxyhepta-1,6-dien-3-yl]oxyhepta-1,6-diene
PubChem CID134882653
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name(3R,4S)-4-prop-2-enoxy-3-[(4S)-4-prop-2-enoxyhepta-1,6-dien-3-yl]oxyhepta-1,6-diene
SMILESC=CCO[C@@H](CC=C)C(C=C)O[C@H](C=C)[C@H](CC=C)OCC=C
InChIInChI=1S/C20H30O3/c1-7-13-19(21-15-9-3)17(11-5)23-18(12-6)20(14-8-2)22-16-10-4/h7-12,17-20H,1-6,13-16H2/t17-,18?,19+,20+/m1/s1
InChIKeyIEHSHMYCDUJLPP-OFURLBHNSA-N
XLogP4.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (3R,4S)-4-prop-2-enoxy-3-[(4S)-4-prop-2-enoxyhepta-1,6-dien-3-yl]oxyhepta-1,6-diene?
The IUPAC name of (3R,4S)-4-prop-2-enoxy-3-[(4S)-4-prop-2-enoxyhepta-1,6-dien-3-yl]oxyhepta-1,6-diene (CID 134882653) is (3R,4S)-4-prop-2-enoxy-3-[(4S)-4-prop-2-enoxyhepta-1,6-dien-3-yl]oxyhepta-1,6-diene.
What is the SMILES notation for (3R,4S)-4-prop-2-enoxy-3-[(4S)-4-prop-2-enoxyhepta-1,6-dien-3-yl]oxyhepta-1,6-diene?
The canonical SMILES for (3R,4S)-4-prop-2-enoxy-3-[(4S)-4-prop-2-enoxyhepta-1,6-dien-3-yl]oxyhepta-1,6-diene is C=CCO[C@@H](CC=C)C(C=C)O[C@H](C=C)[C@H](CC=C)OCC=C.
What is the InChIKey of (3R,4S)-4-prop-2-enoxy-3-[(4S)-4-prop-2-enoxyhepta-1,6-dien-3-yl]oxyhepta-1,6-diene?
The InChIKey is IEHSHMYCDUJLPP-OFURLBHNSA-N. The full InChI is InChI=1S/C20H30O3/c1-7-13-19(21-15-9-3)17(11-5)23-18(12-6)20(14-8-2)22-16-10-4/h7-12,17-20H,1-6,13-16H2/t17-,18?,19+,20+/m1/s1.
What are the key properties of (3R,4S)-4-prop-2-enoxy-3-[(4S)-4-prop-2-enoxyhepta-1,6-dien-3-yl]oxyhepta-1,6-diene?
(3R,4S)-4-prop-2-enoxy-3-[(4S)-4-prop-2-enoxyhepta-1,6-dien-3-yl]oxyhepta-1,6-diene has a molecular weight of 318.46 g/mol, XLogP of 4.41, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-prop-2-enoxy-3-[(4S)-4-prop-2-enoxyhepta-1,6-dien-3-yl]oxyhepta-1,6-diene is sourced from PubChem (CID 134882653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).