cis-(2S,3R)-2-[[(3E)-3-methoxypenta-1,3-dien-2-yl]oxymethyl]-1,1-dimethyl-3-[(2E)-penta-2,4-dien-2-yl]cyclopropane

C17H26O2 — CID 118585590

IUPACcis-(2S,3R)-2-[[(3E)-3-methoxypenta-1,3-dien-2-yl]oxymethyl]-1,1-dimethyl-3-[(2E)-penta-2,4-dien-2-yl]cyclopropane
SMILESC=C/C=C(\C)[C@H]1[C@H](COC(=C)/C(=C\C)OC)C1(C)C
InChIInChI=1S/C17H26O2/c1-8-10-12(3)16-14(17(16,5)6)11-19-13(4)15(9-2)18-7/h8-10,14,16H,1,4,11H2,2-3,5-7H3/b12-10+,15-9+/t14-,16-/m0/s1
InChIKeyLVXJLEUGPQJODN-VXXMOWITSA-N
MW262.39 g/mol
LogP4.47
Rot. Bonds7

About cis-(2S,3R)-2-[[(3E)-3-methoxypenta-1,3-dien-2-yl]oxymethyl]-1,1-dimethyl-3-[(2E)-penta-2,4-dien-2-yl]cyclopropane

cis-(2S,3R)-2-[[(3E)-3-methoxypenta-1,3-dien-2-yl]oxymethyl]-1,1-dimethyl-3-[(2E)-penta-2,4-dien-2-yl]cyclopropane (PubChem CID 118585590) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is cis-(2S,3R)-2-[[(3E)-3-methoxypenta-1,3-dien-2-yl]oxymethyl]-1,1-dimethyl-3-[(2E)-penta-2,4-dien-2-yl]cyclopropane.

Molecular Properties

Compound Namecis-(2S,3R)-2-[[(3E)-3-methoxypenta-1,3-dien-2-yl]oxymethyl]-1,1-dimethyl-3-[(2E)-penta-2,4-dien-2-yl]cyclopropane
PubChem CID118585590
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Namecis-(2S,3R)-2-[[(3E)-3-methoxypenta-1,3-dien-2-yl]oxymethyl]-1,1-dimethyl-3-[(2E)-penta-2,4-dien-2-yl]cyclopropane
SMILESC=C/C=C(\C)[C@H]1[C@H](COC(=C)/C(=C\C)OC)C1(C)C
InChIInChI=1S/C17H26O2/c1-8-10-12(3)16-14(17(16,5)6)11-19-13(4)15(9-2)18-7/h8-10,14,16H,1,4,11H2,2-3,5-7H3/b12-10+,15-9+/t14-,16-/m0/s1
InChIKeyLVXJLEUGPQJODN-VXXMOWITSA-N
XLogP4.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(2S,3R)-2-[[(3E)-3-methoxypenta-1,3-dien-2-yl]oxymethyl]-1,1-dimethyl-3-[(2E)-penta-2,4-dien-2-yl]cyclopropane?
The IUPAC name of cis-(2S,3R)-2-[[(3E)-3-methoxypenta-1,3-dien-2-yl]oxymethyl]-1,1-dimethyl-3-[(2E)-penta-2,4-dien-2-yl]cyclopropane (CID 118585590) is cis-(2S,3R)-2-[[(3E)-3-methoxypenta-1,3-dien-2-yl]oxymethyl]-1,1-dimethyl-3-[(2E)-penta-2,4-dien-2-yl]cyclopropane.
What is the SMILES notation for cis-(2S,3R)-2-[[(3E)-3-methoxypenta-1,3-dien-2-yl]oxymethyl]-1,1-dimethyl-3-[(2E)-penta-2,4-dien-2-yl]cyclopropane?
The canonical SMILES for cis-(2S,3R)-2-[[(3E)-3-methoxypenta-1,3-dien-2-yl]oxymethyl]-1,1-dimethyl-3-[(2E)-penta-2,4-dien-2-yl]cyclopropane is C=C/C=C(\C)[C@H]1[C@H](COC(=C)/C(=C\C)OC)C1(C)C.
What is the InChIKey of cis-(2S,3R)-2-[[(3E)-3-methoxypenta-1,3-dien-2-yl]oxymethyl]-1,1-dimethyl-3-[(2E)-penta-2,4-dien-2-yl]cyclopropane?
The InChIKey is LVXJLEUGPQJODN-VXXMOWITSA-N. The full InChI is InChI=1S/C17H26O2/c1-8-10-12(3)16-14(17(16,5)6)11-19-13(4)15(9-2)18-7/h8-10,14,16H,1,4,11H2,2-3,5-7H3/b12-10+,15-9+/t14-,16-/m0/s1.
What are the key properties of cis-(2S,3R)-2-[[(3E)-3-methoxypenta-1,3-dien-2-yl]oxymethyl]-1,1-dimethyl-3-[(2E)-penta-2,4-dien-2-yl]cyclopropane?
cis-(2S,3R)-2-[[(3E)-3-methoxypenta-1,3-dien-2-yl]oxymethyl]-1,1-dimethyl-3-[(2E)-penta-2,4-dien-2-yl]cyclopropane has a molecular weight of 262.39 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,3R)-2-[[(3E)-3-methoxypenta-1,3-dien-2-yl]oxymethyl]-1,1-dimethyl-3-[(2E)-penta-2,4-dien-2-yl]cyclopropane is sourced from PubChem (CID 118585590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).