(3R,4R)-4-methyl-3,4-bis(prop-2-enoxy)hepta-1,6-diene

C14H22O2 — CID 10680564

IUPAC(3R,4R)-4-methyl-3,4-bis(prop-2-enoxy)hepta-1,6-diene
SMILESC=CCO[C@H](C=C)[C@@](C)(CC=C)OCC=C
InChIInChI=1S/C14H22O2/c1-6-10-14(5,16-12-8-3)13(9-4)15-11-7-2/h6-9,13H,1-4,10-12H2,5H3/t13-,14-/m1/s1
InChIKeyRHAWEZWGZGEDGV-ZIAGYGMSSA-N
MW222.33 g/mol
LogP3.28
Rot. Bonds10

About (3R,4R)-4-methyl-3,4-bis(prop-2-enoxy)hepta-1,6-diene

(3R,4R)-4-methyl-3,4-bis(prop-2-enoxy)hepta-1,6-diene (PubChem CID 10680564) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (3R,4R)-4-methyl-3,4-bis(prop-2-enoxy)hepta-1,6-diene.

Molecular Properties

Compound Name(3R,4R)-4-methyl-3,4-bis(prop-2-enoxy)hepta-1,6-diene
PubChem CID10680564
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(3R,4R)-4-methyl-3,4-bis(prop-2-enoxy)hepta-1,6-diene
SMILESC=CCO[C@H](C=C)[C@@](C)(CC=C)OCC=C
InChIInChI=1S/C14H22O2/c1-6-10-14(5,16-12-8-3)13(9-4)15-11-7-2/h6-9,13H,1-4,10-12H2,5H3/t13-,14-/m1/s1
InChIKeyRHAWEZWGZGEDGV-ZIAGYGMSSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
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 (3R,4R)-4-methyl-3,4-bis(prop-2-enoxy)hepta-1,6-diene?
The IUPAC name of (3R,4R)-4-methyl-3,4-bis(prop-2-enoxy)hepta-1,6-diene (CID 10680564) is (3R,4R)-4-methyl-3,4-bis(prop-2-enoxy)hepta-1,6-diene.
What is the SMILES notation for (3R,4R)-4-methyl-3,4-bis(prop-2-enoxy)hepta-1,6-diene?
The canonical SMILES for (3R,4R)-4-methyl-3,4-bis(prop-2-enoxy)hepta-1,6-diene is C=CCO[C@H](C=C)[C@@](C)(CC=C)OCC=C.
What is the InChIKey of (3R,4R)-4-methyl-3,4-bis(prop-2-enoxy)hepta-1,6-diene?
The InChIKey is RHAWEZWGZGEDGV-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H22O2/c1-6-10-14(5,16-12-8-3)13(9-4)15-11-7-2/h6-9,13H,1-4,10-12H2,5H3/t13-,14-/m1/s1.
What are the key properties of (3R,4R)-4-methyl-3,4-bis(prop-2-enoxy)hepta-1,6-diene?
(3R,4R)-4-methyl-3,4-bis(prop-2-enoxy)hepta-1,6-diene has a molecular weight of 222.33 g/mol, XLogP of 3.28, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methyl-3,4-bis(prop-2-enoxy)hepta-1,6-diene is sourced from PubChem (CID 10680564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).