(3E,5R)-3-(methoxymethyl)-5-methylhepta-1,3-diene

C10H18O — CID 88870770

IUPAC(3E,5R)-3-(methoxymethyl)-5-methylhepta-1,3-diene
SMILESC=C/C(=C\[C@H](C)CC)COC
InChIInChI=1S/C10H18O/c1-5-9(3)7-10(6-2)8-11-4/h6-7,9H,2,5,8H2,1,3-4H3/b10-7+/t9-/m1/s1
InChIKeyMWIIHEPXBGFMQY-YIXGCBLDSA-N
MW154.25 g/mol
LogP2.79
Rot. Bonds5

About (3E,5R)-3-(methoxymethyl)-5-methylhepta-1,3-diene

(3E,5R)-3-(methoxymethyl)-5-methylhepta-1,3-diene (PubChem CID 88870770) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (3E,5R)-3-(methoxymethyl)-5-methylhepta-1,3-diene.

Molecular Properties

Compound Name(3E,5R)-3-(methoxymethyl)-5-methylhepta-1,3-diene
PubChem CID88870770
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(3E,5R)-3-(methoxymethyl)-5-methylhepta-1,3-diene
SMILESC=C/C(=C\[C@H](C)CC)COC
InChIInChI=1S/C10H18O/c1-5-9(3)7-10(6-2)8-11-4/h6-7,9H,2,5,8H2,1,3-4H3/b10-7+/t9-/m1/s1
InChIKeyMWIIHEPXBGFMQY-YIXGCBLDSA-N
XLogP2.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5R)-3-(methoxymethyl)-5-methylhepta-1,3-diene?
The IUPAC name of (3E,5R)-3-(methoxymethyl)-5-methylhepta-1,3-diene (CID 88870770) is (3E,5R)-3-(methoxymethyl)-5-methylhepta-1,3-diene.
What is the SMILES notation for (3E,5R)-3-(methoxymethyl)-5-methylhepta-1,3-diene?
The canonical SMILES for (3E,5R)-3-(methoxymethyl)-5-methylhepta-1,3-diene is C=C/C(=C\[C@H](C)CC)COC.
What is the InChIKey of (3E,5R)-3-(methoxymethyl)-5-methylhepta-1,3-diene?
The InChIKey is MWIIHEPXBGFMQY-YIXGCBLDSA-N. The full InChI is InChI=1S/C10H18O/c1-5-9(3)7-10(6-2)8-11-4/h6-7,9H,2,5,8H2,1,3-4H3/b10-7+/t9-/m1/s1.
What are the key properties of (3E,5R)-3-(methoxymethyl)-5-methylhepta-1,3-diene?
(3E,5R)-3-(methoxymethyl)-5-methylhepta-1,3-diene has a molecular weight of 154.25 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5R)-3-(methoxymethyl)-5-methylhepta-1,3-diene is sourced from PubChem (CID 88870770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).