(2R)-2-[(3Z)-3-methylhepta-3,6-dienyl]oxirane

C10H16O — CID 134862927

IUPAC(2R)-2-[(3Z)-3-methylhepta-3,6-dienyl]oxirane
SMILESC=CC/C=C(/C)CC[C@@H]1CO1
InChIInChI=1S/C10H16O/c1-3-4-5-9(2)6-7-10-8-11-10/h3,5,10H,1,4,6-8H2,2H3/b9-5-/t10-/m1/s1
InChIKeyRXEIUVNTTFHHQP-HYHWUIIZSA-N
MW152.24 g/mol
LogP2.69
Rot. Bonds5

About (2R)-2-[(3Z)-3-methylhepta-3,6-dienyl]oxirane

(2R)-2-[(3Z)-3-methylhepta-3,6-dienyl]oxirane (PubChem CID 134862927) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (2R)-2-[(3Z)-3-methylhepta-3,6-dienyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[(3Z)-3-methylhepta-3,6-dienyl]oxirane
PubChem CID134862927
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(2R)-2-[(3Z)-3-methylhepta-3,6-dienyl]oxirane
SMILESC=CC/C=C(/C)CC[C@@H]1CO1
InChIInChI=1S/C10H16O/c1-3-4-5-9(2)6-7-10-8-11-10/h3,5,10H,1,4,6-8H2,2H3/b9-5-/t10-/m1/s1
InChIKeyRXEIUVNTTFHHQP-HYHWUIIZSA-N
XLogP2.69
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3Z)-3-methylhepta-3,6-dienyl]oxirane?
The IUPAC name of (2R)-2-[(3Z)-3-methylhepta-3,6-dienyl]oxirane (CID 134862927) is (2R)-2-[(3Z)-3-methylhepta-3,6-dienyl]oxirane.
What is the SMILES notation for (2R)-2-[(3Z)-3-methylhepta-3,6-dienyl]oxirane?
The canonical SMILES for (2R)-2-[(3Z)-3-methylhepta-3,6-dienyl]oxirane is C=CC/C=C(/C)CC[C@@H]1CO1.
What is the InChIKey of (2R)-2-[(3Z)-3-methylhepta-3,6-dienyl]oxirane?
The InChIKey is RXEIUVNTTFHHQP-HYHWUIIZSA-N. The full InChI is InChI=1S/C10H16O/c1-3-4-5-9(2)6-7-10-8-11-10/h3,5,10H,1,4,6-8H2,2H3/b9-5-/t10-/m1/s1.
What are the key properties of (2R)-2-[(3Z)-3-methylhepta-3,6-dienyl]oxirane?
(2R)-2-[(3Z)-3-methylhepta-3,6-dienyl]oxirane has a molecular weight of 152.24 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3Z)-3-methylhepta-3,6-dienyl]oxirane is sourced from PubChem (CID 134862927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).